(2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid

C26H29F3N2O3S — CID 158653277

IUPAC(2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid
SMILESCCCC(CC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C1CCCCC1C(F)(F)F)C(=O)O
InChIInChI=1S/C26H29F3N2O3S/c1-2-6-17(25(33)34)14-23(32)16-10-11-22-20(13-16)30-24(15-18-7-5-12-35-18)31(22)21-9-4-3-8-19(21)26(27,28)29/h5,7,10-13,17,19,21H,2-4,6,8-9,14-15H2,1H3,(H,33,34)
InChIKeyIBUXHHMVTJWEPO-UHFFFAOYSA-N
MW506.59 g/mol
LogP7.06
Rot. Bonds9

About (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid

(2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid (PubChem CID 158653277) has the molecular formula C26H29F3N2O3S and a molecular weight of 506.59 g/mol. Its IUPAC name is (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid
PubChem CID158653277
Molecular FormulaC26H29F3N2O3S
Molecular Weight506.59 g/mol
Exact Mass506.19
IUPAC Name(2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid
SMILESCCCC(CC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C1CCCCC1C(F)(F)F)C(=O)O
InChIInChI=1S/C26H29F3N2O3S/c1-2-6-17(25(33)34)14-23(32)16-10-11-22-20(13-16)30-24(15-18-7-5-12-35-18)31(22)21-9-4-3-8-19(21)26(27,28)29/h5,7,10-13,17,19,21H,2-4,6,8-9,14-15H2,1H3,(H,33,34)
InChIKeyIBUXHHMVTJWEPO-UHFFFAOYSA-N
XLogP7.06
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cmf-019
CID 73442763
potassium (3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoate
CID 155529276
1-Cyclohexyl-2-thien-2-YL-1H-benzimidazole-5-carboxylic acid
CID 491103
1H-Benzimidazole-5-carboxylic acid, 1-cyclohexyl-2-(3-thienyl)-
CID 491116
wALADin1
CID 42817381
1H-Benzimidazole-5-carboxylic acid, 1-cyclohexyl-2-(5-methyl-2-thienyl)-
CID 491105
(E)-1-[1-[2-oxo-2-(p-tolyl)ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one
CID 5471214
methyl N-[1-(4-aminobutyl)-5-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate
CID 44354727
methyl N-[1-(2-aminoethyl)-5-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate
CID 44354748
1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid
CID 44386464
2-(5-Carboxy-thiophen-2-yl)-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 44386513
2-[2-(Thiophene-2-carbonylamino)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
CID 90643853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid?
The IUPAC name of (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid (CID 158653277) is (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid.
What is the SMILES notation for (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid?
The canonical SMILES for (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid is CCCC(CC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C1CCCCC1C(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid?
The InChIKey is IBUXHHMVTJWEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N2O3S/c1-2-6-17(25(33)34)14-23(32)16-10-11-22-20(13-16)30-24(15-18-7-5-12-35-18)31(22)21-9-4-3-8-19(21)26(27,28)29/h5,7,10-13,17,19,21H,2-4,6,8-9,14-15H2,1H3,(H,33,34).
What are the key properties of (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid?
(2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid has a molecular weight of 506.59 g/mol, XLogP of 7.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxo-2-[2-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)cyclohexyl]benzimidazol-5-yl]ethyl]pentanoic acid is sourced from PubChem (CID 158653277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).