cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone

C14H14N2O — CID 82494686

IUPACcyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)ncn2C1CC1)C1CC1
InChIInChI=1S/C14H14N2O/c17-14(9-1-2-9)10-3-6-13-12(7-10)15-8-16(13)11-4-5-11/h3,6-9,11H,1-2,4-5H2
InChIKeyXWUHQPGVUHDOOE-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.96
Rot. Bonds3

About cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone

cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone (PubChem CID 82494686) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
PubChem CID82494686
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Namecyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)ncn2C1CC1)C1CC1
InChIInChI=1S/C14H14N2O/c17-14(9-1-2-9)10-3-6-13-12(7-10)15-8-16(13)11-4-5-11/h3,6-9,11H,1-2,4-5H2
InChIKeyXWUHQPGVUHDOOE-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone 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-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
1-(1,1-dioxothian-3-yl)benzimidazole-5-carboxylic acid
CID 63924349
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
1-(3-cyclopropylbenzimidazol-5-yl)ethanone
CID 83880677
2-(1-cyclopropylbenzimidazol-5-yl)acetic acid
CID 82492988
5-bromo-1-cyclopropylbenzimidazole
CID 82496945
1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46976355
1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid
CID 106364026
1-(2,4-dimethylcyclohexyl)benzimidazole-5-carboxylic acid
CID 63998776
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169
1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide
CID 46976347
(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3245353

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone?
The IUPAC name of cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone (CID 82494686) is cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone.
What is the SMILES notation for cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone?
The canonical SMILES for cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone is O=C(c1ccc2c(c1)ncn2C1CC1)C1CC1.
What is the InChIKey of cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone?
The InChIKey is XWUHQPGVUHDOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(9-1-2-9)10-3-6-13-12(7-10)15-8-16(13)11-4-5-11/h3,6-9,11H,1-2,4-5H2.
What are the key properties of cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone?
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 82494686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).