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

C18H18N2O2 — CID 82142040

IUPAC2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc3cc(CC(=O)O)ccc3n2C)cc1C
InChIInChI=1S/C18H18N2O2/c1-11-4-6-14(8-12(11)2)18-19-15-9-13(10-17(21)22)5-7-16(15)20(18)3/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyQNDMINKPBJFMGK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.48
Rot. Bonds3

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

2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid (PubChem CID 82142040) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
PubChem CID82142040
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc3cc(CC(=O)O)ccc3n2C)cc1C
InChIInChI=1S/C18H18N2O2/c1-11-4-6-14(8-12(11)2)18-19-15-9-13(10-17(21)22)5-7-16(15)20(18)3/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyQNDMINKPBJFMGK-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142041
2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
CID 82142028
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-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 94742947
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040239
[2-(3,4-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65038170
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid (CID 82142040) is 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid is Cc1ccc(-c2nc3cc(CC(=O)O)ccc3n2C)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid?
The InChIKey is QNDMINKPBJFMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-4-6-14(8-12(11)2)18-19-15-9-13(10-17(21)22)5-7-16(15)20(18)3/h4-9H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid?
2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).