1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid

C32H28N2O3 — CID 10163324

IUPAC1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(Oc3ccccc3-c3ccccc3)cc1)n2C1CCCCC1
InChIInChI=1S/C32H28N2O3/c35-32(36)24-17-20-29-28(21-24)33-31(34(29)25-11-5-2-6-12-25)23-15-18-26(19-16-23)37-30-14-8-7-13-27(30)22-9-3-1-4-10-22/h1,3-4,7-10,13-21,25H,2,5-6,11-12H2,(H,35,36)
InChIKeyXWBMOABRLCSNSB-UHFFFAOYSA-N
MW488.59 g/mol
LogP8.37
Rot. Bonds6

About 1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid (PubChem CID 10163324) has the molecular formula C32H28N2O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid
PubChem CID10163324
Molecular FormulaC32H28N2O3
Molecular Weight488.59 g/mol
Exact Mass488.21
IUPAC Name1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(Oc3ccccc3-c3ccccc3)cc1)n2C1CCCCC1
InChIInChI=1S/C32H28N2O3/c35-32(36)24-17-20-29-28(21-24)33-31(34(29)25-11-5-2-6-12-25)23-15-18-26(19-16-23)37-30-14-8-7-13-27(30)22-9-3-1-4-10-22/h1,3-4,7-10,13-21,25H,2,5-6,11-12H2,(H,35,36)
InChIKeyXWBMOABRLCSNSB-UHFFFAOYSA-N
XLogP8.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 58.37
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-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid (CID 10163324) is 1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(Oc3ccccc3-c3ccccc3)cc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is XWBMOABRLCSNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O3/c35-32(36)24-17-20-29-28(21-24)33-31(34(29)25-11-5-2-6-12-25)23-15-18-26(19-16-23)37-30-14-8-7-13-27(30)22-9-3-1-4-10-22/h1,3-4,7-10,13-21,25H,2,5-6,11-12H2,(H,35,36).
What are the key properties of 1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[4-(2-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 488.59 g/mol, XLogP of 8.37, 6 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-phenylphenoxy)phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10163324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).