3-(2-phenylethyl)benzimidazole-5-carboxylic acid

C16H14N2O2 — CID 82791472

IUPAC3-(2-phenylethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(CCc3ccccc3)c2c1
InChIInChI=1S/C16H14N2O2/c19-16(20)13-6-7-14-15(10-13)18(11-17-14)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)
InChIKeyGMOVEBUJZWQYIQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.98
Rot. Bonds4

About 3-(2-phenylethyl)benzimidazole-5-carboxylic acid

3-(2-phenylethyl)benzimidazole-5-carboxylic acid (PubChem CID 82791472) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2-phenylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylethyl)benzimidazole-5-carboxylic acid
PubChem CID82791472
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(2-phenylethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(CCc3ccccc3)c2c1
InChIInChI=1S/C16H14N2O2/c19-16(20)13-6-7-14-15(10-13)18(11-17-14)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)
InChIKeyGMOVEBUJZWQYIQ-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2-phenylethyl)benzimidazole-5-carboxylic acid (CID 82791472) is 3-(2-phenylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2-phenylethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(CCc3ccccc3)c2c1.
What is the InChIKey of 3-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is GMOVEBUJZWQYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)13-6-7-14-15(10-13)18(11-17-14)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20).
What are the key properties of 3-(2-phenylethyl)benzimidazole-5-carboxylic acid?
3-(2-phenylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).