1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile

C13H11N3O — CID 116920882

IUPAC1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
SMILESCc1nc2ccc(C(=O)C3(C#N)CC3)cc2[nH]1
InChIInChI=1S/C13H11N3O/c1-8-15-10-3-2-9(6-11(10)16-8)12(17)13(7-14)4-5-13/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyVWINOVYXUNLAPA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.36
Rot. Bonds2

About 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile

1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 116920882) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
PubChem CID116920882
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
SMILESCc1nc2ccc(C(=O)C3(C#N)CC3)cc2[nH]1
InChIInChI=1S/C13H11N3O/c1-8-15-10-3-2-9(6-11(10)16-8)12(17)13(7-14)4-5-13/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyVWINOVYXUNLAPA-UHFFFAOYSA-N
XLogP2.36
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920880
2,2-dibromo-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116827124
methyl 2-(2-methyl-3H-benzimidazol-5-yl)prop-2-enoate
CID 116843263
2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 82493358
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116942996

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile (CID 116920882) is 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile is Cc1nc2ccc(C(=O)C3(C#N)CC3)cc2[nH]1.
What is the InChIKey of 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is VWINOVYXUNLAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-15-10-3-2-9(6-11(10)16-8)12(17)13(7-14)4-5-13/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile?
1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116920882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).