2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid

C17H16N2O2 — CID 82142076

IUPAC2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
SMILESCCn1c(-c2ccccc2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C17H16N2O2/c1-2-19-15-9-8-12(11-16(20)21)10-14(15)18-17(19)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeySOVMCVRMBUMTHE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.35
Rot. Bonds4

About 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid

2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid (PubChem CID 82142076) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
PubChem CID82142076
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
SMILESCCn1c(-c2ccccc2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C17H16N2O2/c1-2-19-15-9-8-12(11-16(20)21)10-14(15)18-17(19)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeySOVMCVRMBUMTHE-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid 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

2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 94742947
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
CID 71512806
2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142040
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
CID 82142028
N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide
CID 96677688
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid (CID 82142076) is 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid is CCn1c(-c2ccccc2)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid?
The InChIKey is SOVMCVRMBUMTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-19-15-9-8-12(11-16(20)21)10-14(15)18-17(19)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid?
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid has a molecular weight of 280.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82142076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).