CAS 2620-81-7 | 1H-Benzimidazole, 2-(4-methoxyphenyl)- | CAS Number 2620-81-7

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2620-81-7 | 1H-Benzimidazole, 2-(4-methoxyphenyl)-

CAS No: 2620-81-7 Catalog No: AG002S9D MDL No:MFCD00195122

Product Description

Catalog Number:

AG002S9D

Chemical Name:

1H-Benzimidazole, 2-(4-methoxyphenyl)-

CAS Number:

2620-81-7

Molecular Formula:

C14H12N2O

Molecular Weight:

224.2579

MDL Number:

MFCD00195122

IUPAC Name:

2-(4-methoxyphenyl)-1H-benzimidazole

InChI:

InChI=1S/C14H12N2O/c1-17-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16)

InChI Key:

PYRWEZBEXFMUHH-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)c1nc2c([nH]1)cccc2

NSC Number:

403421

Properties

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.263g/mol

Monoisotopic Mass:

224.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Vibrational spectrum and assignments of 2-(4-methoxyphenyl)-1H-benzo[d]imidazole by ab initio Hartree-Fock and density functional methods.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080601
Design, microwave-assisted synthesis, and spasmolytic activity of 2-(alkyloxyaryl)-1H-benzimidazole derivatives as constrained stilbene bioisosteres.	Bioorganic & medicinal chemistry letters 20060815
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501