CAS 4875-39-2 | 4-Phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine | CAS Number 4875-39-2

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4875-39-2 | 4-Phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

CAS No: 4875-39-2 Catalog No: AG00DEGG MDL No:MFCD00186988

Product Description

Catalog Number:

AG00DEGG

Chemical Name:

4-Phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

CAS Number:

4875-39-2

Molecular Formula:

C12H13N3

Molecular Weight:

199.2517

MDL Number:

MFCD00186988

IUPAC Name:

4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

InChI:

InChI=1S/C12H13N3/c1-2-4-9(5-3-1)11-12-10(6-7-13-11)14-8-15-12/h1-5,8,11,13H,6-7H2,(H,14,15)

InChI Key:

SHIJOLLBBCZWON-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)C1NCCc2c1nc[nH]2

NSC Number:

83345

Properties

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.257g/mol

Monoisotopic Mass:

199.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

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