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

C17H24N2O2 — CID 82142121

IUPAC2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
SMILESCCCCc1nc2cc(CC(=O)O)ccc2n1CC(C)C
InChIInChI=1S/C17H24N2O2/c1-4-5-6-16-18-14-9-13(10-17(20)21)7-8-15(14)19(16)11-12(2)3/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,21)
InChIKeyDYXWYPUZXGGROR-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.66
Rot. Bonds7

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

2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid (PubChem CID 82142121) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
PubChem CID82142121
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
SMILESCCCCc1nc2cc(CC(=O)O)ccc2n1CC(C)C
InChIInChI=1S/C17H24N2O2/c1-4-5-6-16-18-14-9-13(10-17(20)21)7-8-15(14)19(16)11-12(2)3/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,21)
InChIKeyDYXWYPUZXGGROR-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142130
2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid
CID 82142230
3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
CID 82333910
3-[5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]propanoic acid
CID 82331977
2-[1-butyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142170
N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
CID 82333691
2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
CID 82142178
[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]methanethiol
CID 82333880
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid (CID 82142121) is 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid is CCCCc1nc2cc(CC(=O)O)ccc2n1CC(C)C.
What is the InChIKey of 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid?
The InChIKey is DYXWYPUZXGGROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-6-16-18-14-9-13(10-17(20)21)7-8-15(14)19(16)11-12(2)3/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid?
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid has a molecular weight of 288.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).