3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid

C20H22N2O3 — CID 70038596

IUPAC3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid
SMILESCCn1c(-c2cccc(CCC(=O)O)c2OC)nc2cc(C)ccc21
InChIInChI=1S/C20H22N2O3/c1-4-22-17-10-8-13(2)12-16(17)21-20(22)15-7-5-6-14(19(15)25-3)9-11-18(23)24/h5-8,10,12H,4,9,11H2,1-3H3,(H,23,24)
InChIKeyAJWNBESTXFISKY-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.06
Rot. Bonds6

About 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid

3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid (PubChem CID 70038596) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid
PubChem CID70038596
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid
SMILESCCn1c(-c2cccc(CCC(=O)O)c2OC)nc2cc(C)ccc21
InChIInChI=1S/C20H22N2O3/c1-4-22-17-10-8-13(2)12-16(17)21-20(22)15-7-5-6-14(19(15)25-3)9-11-18(23)24/h5-8,10,12H,4,9,11H2,1-3H3,(H,23,24)
InChIKeyAJWNBESTXFISKY-UHFFFAOYSA-N
XLogP4.06
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic 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

3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
CID 136678120
2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline
CID 115411306
3-(1-ethyl-5-methylindol-2-yl)propanoic acid
CID 117121517
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
CID 122371996
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
2-[2-(3-methylphenyl)-5-propanoylbenzimidazol-1-yl]acetic acid
CID 94743154
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid?
The IUPAC name of 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid (CID 70038596) is 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid.
What is the SMILES notation for 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid?
The canonical SMILES for 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid is CCn1c(-c2cccc(CCC(=O)O)c2OC)nc2cc(C)ccc21.
What is the InChIKey of 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid?
The InChIKey is AJWNBESTXFISKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-22-17-10-8-13(2)12-16(17)21-20(22)15-7-5-6-14(19(15)25-3)9-11-18(23)24/h5-8,10,12H,4,9,11H2,1-3H3,(H,23,24).
What are the key properties of 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid?
3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid has a molecular weight of 338.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid is sourced from PubChem (CID 70038596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).