2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid

C18H18N2O4 — CID 82142041

IUPAC2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc3cc(CC(=O)O)ccc3n2C)cc1OC
InChIInChI=1S/C18H18N2O4/c1-20-14-6-4-11(9-17(21)22)8-13(14)19-18(20)12-5-7-15(23-2)16(10-12)24-3/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyQEDNWGJIEIJNOO-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid

2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid (PubChem CID 82142041) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
PubChem CID82142041
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc3cc(CC(=O)O)ccc3n2C)cc1OC
InChIInChI=1S/C18H18N2O4/c1-20-14-6-4-11(9-17(21)22)8-13(14)19-18(20)12-5-7-15(23-2)16(10-12)24-3/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyQEDNWGJIEIJNOO-UHFFFAOYSA-N
XLogP2.88
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-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-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142040
[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040239
N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773200
2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
CID 82142028
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
ethyl 2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-methylbenzimidazole-5-carboxylate
CID 156583438
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 94742947
2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid (CID 82142041) is 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid is COc1ccc(-c2nc3cc(CC(=O)O)ccc3n2C)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid?
The InChIKey is QEDNWGJIEIJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-20-14-6-4-11(9-17(21)22)8-13(14)19-18(20)12-5-7-15(23-2)16(10-12)24-3/h4-8,10H,9H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid?
2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid has a molecular weight of 326.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).