1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid

C27H23F3N2O3 — CID 10184305

IUPAC1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccc(C(F)(F)F)cc3)cc1)n2C1CCCC1
InChIInChI=1S/C27H23F3N2O3/c28-27(29,30)20-10-5-17(6-11-20)16-35-22-12-7-18(8-13-22)25-31-23-15-19(26(33)34)9-14-24(23)32(25)21-3-1-2-4-21/h5-15,21H,1-4,16H2,(H,33,34)
InChIKeyCARBPJFCDAHMQH-UHFFFAOYSA-N
MW480.49 g/mol
LogP7.11
Rot. Bonds6

About 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid

1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid (PubChem CID 10184305) has the molecular formula C27H23F3N2O3 and a molecular weight of 480.49 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
PubChem CID10184305
Molecular FormulaC27H23F3N2O3
Molecular Weight480.49 g/mol
Exact Mass480.17
IUPAC Name1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccc(C(F)(F)F)cc3)cc1)n2C1CCCC1
InChIInChI=1S/C27H23F3N2O3/c28-27(29,30)20-10-5-17(6-11-20)16-35-22-12-7-18(8-13-22)25-31-23-15-19(26(33)34)9-14-24(23)32(25)21-3-1-2-4-21/h5-15,21H,1-4,16H2,(H,33,34)
InChIKeyCARBPJFCDAHMQH-UHFFFAOYSA-N
XLogP7.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid (CID 10184305) is 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccc(C(F)(F)F)cc3)cc1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is CARBPJFCDAHMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O3/c28-27(29,30)20-10-5-17(6-11-20)16-35-22-12-7-18(8-13-22)25-31-23-15-19(26(33)34)9-14-24(23)32(25)21-3-1-2-4-21/h5-15,21H,1-4,16H2,(H,33,34).
What are the key properties of 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 480.49 g/mol, XLogP of 7.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10184305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).