N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide

C18H16N4O — CID 168521415

IUPACN-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
SMILESCc1nc2cc(NC(=O)CC#N)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H16N4O/c1-13-20-16-11-15(21-18(23)9-10-19)7-8-17(16)22(13)12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3,(H,21,23)
InChIKeyDSPZRLASVLFCEF-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.25
Rot. Bonds4

About N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide

N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide (PubChem CID 168521415) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
PubChem CID168521415
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
SMILESCc1nc2cc(NC(=O)CC#N)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H16N4O/c1-13-20-16-11-15(21-18(23)9-10-19)7-8-17(16)22(13)12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3,(H,21,23)
InChIKeyDSPZRLASVLFCEF-UHFFFAOYSA-N
XLogP3.25
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 1077765
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
1-[(1-benzyl-2-methylbenzimidazol-5-yl)amino]-3-chloropropan-2-ol
CID 168637879
N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide
CID 76851115
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 1111671
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide?
The IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide (CID 168521415) is N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide.
What is the SMILES notation for N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide?
The canonical SMILES for N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide is Cc1nc2cc(NC(=O)CC#N)ccc2n1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide?
The InChIKey is DSPZRLASVLFCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-20-16-11-15(21-18(23)9-10-19)7-8-17(16)22(13)12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3,(H,21,23).
What are the key properties of N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide?
N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide has a molecular weight of 304.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide is sourced from PubChem (CID 168521415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).