N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide

C13H12N4O — CID 166260961

IUPACN-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide
SMILESCn1c(NC(=O)C2CC2)nc2cc(C#N)ccc21
InChIInChI=1S/C13H12N4O/c1-17-11-5-2-8(7-14)6-10(11)15-13(17)16-12(18)9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H,15,16,18)
InChIKeyQJHTYCXDMOXZGV-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.79
Rot. Bonds2

About N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide

N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide (PubChem CID 166260961) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide
PubChem CID166260961
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide
SMILESCn1c(NC(=O)C2CC2)nc2cc(C#N)ccc21
InChIInChI=1S/C13H12N4O/c1-17-11-5-2-8(7-14)6-10(11)15-13(17)16-12(18)9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H,15,16,18)
InChIKeyQJHTYCXDMOXZGV-UHFFFAOYSA-N
XLogP1.79
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 166358998
methyl 3-(5-cyano-1-methylbenzimidazol-2-yl)bicyclo[1.1.1]pentane-1-carboxylate
CID 176658212
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 71935646
1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile
CID 65034874
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119816279
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
2-amino-3-(5-cyano-1-methylbenzimidazol-2-yl)propanoic acid
CID 83440746
(3S)-N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 52519571

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide (CID 166260961) is N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide is Cn1c(NC(=O)C2CC2)nc2cc(C#N)ccc21.
What is the InChIKey of N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide?
The InChIKey is QJHTYCXDMOXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17-11-5-2-8(7-14)6-10(11)15-13(17)16-12(18)9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H,15,16,18).
What are the key properties of N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide?
N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 166260961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).