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

C14H15F3N2O2 — CID 82142132

IUPAC2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
SMILESCC(C)Cn1c(C(F)(F)F)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C14H15F3N2O2/c1-8(2)7-19-11-4-3-9(6-12(20)21)5-10(11)18-13(19)14(15,16)17/h3-5,8H,6-7H2,1-2H3,(H,20,21)
InChIKeyDDSUSDSFBNRYLJ-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.34
Rot. Bonds4

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

2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid (PubChem CID 82142132) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
PubChem CID82142132
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
SMILESCC(C)Cn1c(C(F)(F)F)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C14H15F3N2O2/c1-8(2)7-19-11-4-3-9(6-12(20)21)5-10(11)18-13(19)14(15,16)17/h3-5,8H,6-7H2,1-2H3,(H,20,21)
InChIKeyDDSUSDSFBNRYLJ-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
CID 82142178
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
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
1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 115408209
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
2-[1-(2-methylpropyl)indol-5-yl]acetic acid
CID 115106854
2-[3-(2-methylpropyl)-2-(trifluoromethyl)imidazol-4-yl]acetic acid
CID 83825395
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
3-[5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]propanoic acid
CID 82331977

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid (CID 82142132) is 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid is CC(C)Cn1c(C(F)(F)F)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid?
The InChIKey is DDSUSDSFBNRYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-8(2)7-19-11-4-3-9(6-12(20)21)5-10(11)18-13(19)14(15,16)17/h3-5,8H,6-7H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid?
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid has a molecular weight of 300.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).