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

C34H29F3N2O3 — CID 11845434

IUPAC1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1C(F)(F)F)n2C1CCCCC1
InChIInChI=1S/C34H29F3N2O3/c35-34(36,37)29-20-26(42-21-24-11-7-8-14-27(24)22-9-3-1-4-10-22)16-17-28(29)32-38-30-19-23(33(40)41)15-18-31(30)39(32)25-12-5-2-6-13-25/h1,3-4,7-11,14-20,25H,2,5-6,12-13,21H2,(H,40,41)
InChIKeyWKBJPSSQTDQRLU-UHFFFAOYSA-N
MW570.61 g/mol
LogP9.17
Rot. Bonds7

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

1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid (PubChem CID 11845434) has the molecular formula C34H29F3N2O3 and a molecular weight of 570.61 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid
PubChem CID11845434
Molecular FormulaC34H29F3N2O3
Molecular Weight570.61 g/mol
Exact Mass570.21
IUPAC Name1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1C(F)(F)F)n2C1CCCCC1
InChIInChI=1S/C34H29F3N2O3/c35-34(36,37)29-20-26(42-21-24-11-7-8-14-27(24)22-9-3-1-4-10-22)16-17-28(29)32-38-30-19-23(33(40)41)15-18-31(30)39(32)25-12-5-2-6-13-25/h1,3-4,7-11,14-20,25H,2,5-6,12-13,21H2,(H,40,41)
InChIKeyWKBJPSSQTDQRLU-UHFFFAOYSA-N
XLogP9.17
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.61
LogP ≤ 59.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid (CID 11845434) is 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1C(F)(F)F)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is WKBJPSSQTDQRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F3N2O3/c35-34(36,37)29-20-26(42-21-24-11-7-8-14-27(24)22-9-3-1-4-10-22)16-17-28(29)32-38-30-19-23(33(40)41)15-18-31(30)39(32)25-12-5-2-6-13-25/h1,3-4,7-11,14-20,25H,2,5-6,12-13,21H2,(H,40,41).
What are the key properties of 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 570.61 g/mol, XLogP of 9.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-2-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 11845434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).