1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid

C17H14N2O2 — CID 167313683

IUPAC1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C17H14N2O2/c20-16(21)17(9-10-17)12-7-5-11(6-8-12)15-18-13-3-1-2-4-14(13)19-15/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyJVNFASGUFDGPHD-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.35
Rot. Bonds3

About 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 167313683) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID167313683
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C17H14N2O2/c20-16(21)17(9-10-17)12-7-5-11(6-8-12)15-18-13-3-1-2-4-14(13)19-15/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyJVNFASGUFDGPHD-UHFFFAOYSA-N
XLogP3.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 174987676
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
CID 136510486
3-[4-(1H-benzimidazol-2-yl)phenyl]propanoic acid
CID 122561896
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid (CID 167313683) is 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is JVNFASGUFDGPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16(21)17(9-10-17)12-7-5-11(6-8-12)15-18-13-3-1-2-4-14(13)19-15/h1-8H,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167313683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).