2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid

C20H22N2O2 — CID 94742956

IUPAC2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
SMILESCc1ccccc1-c1nc2cc(CC(=O)O)ccc2n1CC(C)C
InChIInChI=1S/C20H22N2O2/c1-13(2)12-22-18-9-8-15(11-19(23)24)10-17(18)21-20(22)16-7-5-4-6-14(16)3/h4-10,13H,11-12H2,1-3H3,(H,23,24)
InChIKeyAUQHEQJFDPLEGZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.29
Rot. Bonds5

About 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid

2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid (PubChem CID 94742956) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
PubChem CID94742956
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
SMILESCc1ccccc1-c1nc2cc(CC(=O)O)ccc2n1CC(C)C
InChIInChI=1S/C20H22N2O2/c1-13(2)12-22-18-9-8-15(11-19(23)24)10-17(18)21-20(22)16-7-5-4-6-14(16)3/h4-10,13H,11-12H2,1-3H3,(H,23,24)
InChIKeyAUQHEQJFDPLEGZ-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142130
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
CID 82142178
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142040
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid (CID 94742956) is 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid is Cc1ccccc1-c1nc2cc(CC(=O)O)ccc2n1CC(C)C.
What is the InChIKey of 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid?
The InChIKey is AUQHEQJFDPLEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13(2)12-22-18-9-8-15(11-19(23)24)10-17(18)21-20(22)16-7-5-4-6-14(16)3/h4-10,13H,11-12H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid?
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 94742956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).