2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid

C16H22N2O2 — CID 62336746

IUPAC2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(CCC(C)C)n(CC(=O)O)c2cc1C
InChIInChI=1S/C16H22N2O2/c1-10(2)5-6-15-17-13-7-11(3)12(4)8-14(13)18(15)9-16(19)20/h7-8,10H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyGLSVCHIFGXXWPJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.33
Rot. Bonds5

About 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid

2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid (PubChem CID 62336746) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid
PubChem CID62336746
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(CCC(C)C)n(CC(=O)O)c2cc1C
InChIInChI=1S/C16H22N2O2/c1-10(2)5-6-15-17-13-7-11(3)12(4)8-14(13)18(15)9-16(19)20/h7-8,10H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyGLSVCHIFGXXWPJ-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 55159468
2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62335822
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 82310954
2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
CID 62804398
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
3-[5,6-dimethyl-2-(propan-2-yloxymethyl)benzimidazol-1-yl]propanoic acid
CID 115949439
2-[2-(4-aminophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 71683625
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid (CID 62336746) is 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid is Cc1cc2nc(CCC(C)C)n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid?
The InChIKey is GLSVCHIFGXXWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)5-6-15-17-13-7-11(3)12(4)8-14(13)18(15)9-16(19)20/h7-8,10H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid?
2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid has a molecular weight of 274.36 g/mol, XLogP of 3.33, 5 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-(3-methylbutyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 62336746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).