CAS 5851-45-6 | 1H-Benzimidazole,2-(2-methylpropyl)-(9CI) | CAS Number 5851-45-6

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5851-45-6 | 1H-Benzimidazole,2-(2-methylpropyl)-(9CI)

CAS No: 5851-45-6 Catalog No: AG00EJKI MDL No:MFCD00457390

Product Description

Catalog Number:

AG00EJKI

Chemical Name:

1H-Benzimidazole,2-(2-methylpropyl)-(9CI)

CAS Number:

5851-45-6

Molecular Formula:

C11H14N2

Molecular Weight:

174.2423

MDL Number:

MFCD00457390

IUPAC Name:

2-(2-methylpropyl)-1H-benzimidazole

InChI:

InChI=1S/C11H14N2/c1-8(2)7-11-12-9-5-3-4-6-10(9)13-11/h3-6,8H,7H2,1-2H3,(H,12,13)

InChI Key:

ICSHJXKBLINVJB-UHFFFAOYSA-N

SMILES:

CC(Cc1nc2c([nH]1)cccc2)C

Properties

Complexity:

168

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.247g/mol

Monoisotopic Mass:

174.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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