3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide

C18H16N4O — CID 56744624

IUPAC3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
SMILESCc1cc2nc(CNC(=O)c3cccc(C#N)c3)[nH]c2cc1C
InChIInChI=1S/C18H16N4O/c1-11-6-15-16(7-12(11)2)22-17(21-15)10-20-18(23)14-5-3-4-13(8-14)9-19/h3-8H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUVBBWKXEVDWXER-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.98
Rot. Bonds3

About 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide

3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide (PubChem CID 56744624) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
PubChem CID56744624
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
SMILESCc1cc2nc(CNC(=O)c3cccc(C#N)c3)[nH]c2cc1C
InChIInChI=1S/C18H16N4O/c1-11-6-15-16(7-12(11)2)22-17(21-15)10-20-18(23)14-5-3-4-13(8-14)9-19/h3-8H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUVBBWKXEVDWXER-UHFFFAOYSA-N
XLogP2.98
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
CID 124703638
1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide
CID 156818205
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
tert-butyl N-[(6-cyano-1H-benzimidazol-2-yl)methyl]carbamate
CID 118213920
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]benzamide
CID 46952044
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-prop-2-enylbenzamide
CID 24701030
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide (CID 56744624) is 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide is Cc1cc2nc(CNC(=O)c3cccc(C#N)c3)[nH]c2cc1C.
What is the InChIKey of 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide?
The InChIKey is UVBBWKXEVDWXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-6-15-16(7-12(11)2)22-17(21-15)10-20-18(23)14-5-3-4-13(8-14)9-19/h3-8H,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide?
3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 56744624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).