4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid

C14H18N2O2 — CID 60784508

IUPAC4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
SMILESCCn1c(CCCC(=O)O)nc2cc(C)ccc21
InChIInChI=1S/C14H18N2O2/c1-3-16-12-8-7-10(2)9-11(12)15-13(16)5-4-6-14(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyIMOJTMCLMVJEOX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.77
Rot. Bonds5

About 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid

4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid (PubChem CID 60784508) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
PubChem CID60784508
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
SMILESCCn1c(CCCC(=O)O)nc2cc(C)ccc21
InChIInChI=1S/C14H18N2O2/c1-3-16-12-8-7-10(2)9-11(12)15-13(16)5-4-6-14(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyIMOJTMCLMVJEOX-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic 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

4-[5-methyl-1-(3-oxobutyl)benzimidazol-2-yl]butanoic acid
CID 82332889
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid
CID 6488083
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353
4-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)butanoic acid
CID 82334652
3-(1-ethyl-5-methylindol-2-yl)propanoic acid
CID 117121517
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
CID 65284176
3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid
CID 70038596
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid (CID 60784508) is 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid is CCn1c(CCCC(=O)O)nc2cc(C)ccc21.
What is the InChIKey of 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid?
The InChIKey is IMOJTMCLMVJEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-16-12-8-7-10(2)9-11(12)15-13(16)5-4-6-14(17)18/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid?
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 60784508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).