2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid

C33H30N2O3 — CID 10185481

IUPAC2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OC(c3ccccc3)c3ccccc3)cc1)n2C1CCCCC1
InChIInChI=1S/C33H30N2O3/c36-33(37)26-18-21-30-29(22-26)34-32(35(30)27-14-8-3-9-15-27)25-16-19-28(20-17-25)38-31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-22,27,31H,3,8-9,14-15H2,(H,36,37)
InChIKeyDUKNAMNPLJHTBE-UHFFFAOYSA-N
MW502.61 g/mol
LogP8.08
Rot. Bonds7

About 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid

2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid (PubChem CID 10185481) has the molecular formula C33H30N2O3 and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid
PubChem CID10185481
Molecular FormulaC33H30N2O3
Molecular Weight502.61 g/mol
Exact Mass502.23
IUPAC Name2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OC(c3ccccc3)c3ccccc3)cc1)n2C1CCCCC1
InChIInChI=1S/C33H30N2O3/c36-33(37)26-18-21-30-29(22-26)34-32(35(30)27-14-8-3-9-15-27)25-16-19-28(20-17-25)38-31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-22,27,31H,3,8-9,14-15H2,(H,36,37)
InChIKeyDUKNAMNPLJHTBE-UHFFFAOYSA-N
XLogP8.08
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid (CID 10185481) is 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(OC(c3ccccc3)c3ccccc3)cc1)n2C1CCCCC1.
What is the InChIKey of 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid?
The InChIKey is DUKNAMNPLJHTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O3/c36-33(37)26-18-21-30-29(22-26)34-32(35(30)27-14-8-3-9-15-27)25-16-19-28(20-17-25)38-31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-22,27,31H,3,8-9,14-15H2,(H,36,37).
What are the key properties of 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid?
2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid has a molecular weight of 502.61 g/mol, XLogP of 8.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydryloxyphenyl)-1-cyclohexylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 10185481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).