1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile

C12H9N3O2 — CID 116920880

IUPAC1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C12H9N3O2/c13-6-12(3-4-12)10(16)7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4H2,(H2,14,15,17)
InChIKeyIDDYIINRNLKXMU-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.34
Rot. Bonds2

About 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile

1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 116920880) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
PubChem CID116920880
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C12H9N3O2/c13-6-12(3-4-12)10(16)7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4H2,(H2,14,15,17)
InChIKeyIDDYIINRNLKXMU-UHFFFAOYSA-N
XLogP1.34
TPSA89.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile 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

1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920882
1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile
CID 116920794
1-(1,3-benzodioxole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920811
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 106892538
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile
CID 116920814
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile (CID 116920880) is 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is IDDYIINRNLKXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-6-12(3-4-12)10(16)7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4H2,(H2,14,15,17).
What are the key properties of 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile?
1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 227.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116920880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).