2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid

C18H18N2O2 — CID 82145200

IUPAC2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
SMILESCc1ccc(-c2nc3cc(C)c(C)cc3n2CC(=O)O)cc1
InChIInChI=1S/C18H18N2O2/c1-11-4-6-14(7-5-11)18-19-15-8-12(2)13(3)9-16(15)20(18)10-17(21)22/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyIWBHPQWRRXTNTB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.71
Rot. Bonds3

About 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid

2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid (PubChem CID 82145200) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
PubChem CID82145200
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
SMILESCc1ccc(-c2nc3cc(C)c(C)cc3n2CC(=O)O)cc1
InChIInChI=1S/C18H18N2O2/c1-11-4-6-14(7-5-11)18-19-15-8-12(2)13(3)9-16(15)20(18)10-17(21)22/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyIWBHPQWRRXTNTB-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-aminophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 71683625
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971
2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 94748134
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
3-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]propanoic acid
CID 94748004
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
3-(5,6-dimethyl-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82145292
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanethioamide
CID 82149852
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanenitrile
CID 82145204
2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 55159468

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid (CID 82145200) is 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid is Cc1ccc(-c2nc3cc(C)c(C)cc3n2CC(=O)O)cc1.
What is the InChIKey of 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid?
The InChIKey is IWBHPQWRRXTNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-4-6-14(7-5-11)18-19-15-8-12(2)13(3)9-16(15)20(18)10-17(21)22/h4-9H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid?
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 82145200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).