2-ethyl-3-phenylbenzimidazole-5-carboxylic acid

C16H14N2O2 — CID 80502841

IUPAC2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-2-15-17-13-9-8-11(16(19)20)10-14(13)18(15)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,19,20)
InChIKeyYCMCJDJCVYRBSH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.29
Rot. Bonds3

About 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid

2-ethyl-3-phenylbenzimidazole-5-carboxylic acid (PubChem CID 80502841) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
PubChem CID80502841
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-2-15-17-13-9-8-11(16(19)20)10-14(13)18(15)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,19,20)
InChIKeyYCMCJDJCVYRBSH-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid (CID 80502841) is 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1-c1ccccc1.
What is the InChIKey of 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid?
The InChIKey is YCMCJDJCVYRBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-15-17-13-9-8-11(16(19)20)10-14(13)18(15)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid?
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 80502841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).