1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid

C17H14N2O2 — CID 115543379

IUPAC1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ncn2C1CC1c1ccccc1
InChIInChI=1S/C17H14N2O2/c20-17(21)12-7-4-8-14-16(12)18-10-19(14)15-9-13(15)11-5-2-1-3-6-11/h1-8,10,13,15H,9H2,(H,20,21)
InChIKeyHEKPHBOOIKASNX-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid

1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid (PubChem CID 115543379) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid
PubChem CID115543379
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ncn2C1CC1c1ccccc1
InChIInChI=1S/C17H14N2O2/c20-17(21)12-7-4-8-14-16(12)18-10-19(14)15-9-13(15)11-5-2-1-3-6-11/h1-8,10,13,15H,9H2,(H,20,21)
InChIKeyHEKPHBOOIKASNX-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543686
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzimidazole-4-carboxylic acid
CID 115543965
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543899
1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543746
1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543827
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-[[2-(hydroxymethyl)cyclohexyl]methyl]benzimidazole-4-carboxylic acid
CID 115543824
1-pentan-3-ylbenzimidazole-4-carboxylic acid
CID 115542982
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid (CID 115543379) is 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1ncn2C1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid?
The InChIKey is HEKPHBOOIKASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21)12-7-4-8-14-16(12)18-10-19(14)15-9-13(15)11-5-2-1-3-6-11/h1-8,10,13,15H,9H2,(H,20,21).
What are the key properties of 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid?
1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).