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

C33H30N2O3 — CID 10141859

IUPAC1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1)n2C1CCCCC1
InChIInChI=1S/C33H30N2O3/c36-33(37)25-17-20-31-30(21-25)34-32(35(31)27-12-5-2-6-13-27)24-15-18-28(19-16-24)38-22-26-11-7-8-14-29(26)23-9-3-1-4-10-23/h1,3-4,7-11,14-21,27H,2,5-6,12-13,22H2,(H,36,37)
InChIKeyMRHFHIDNFDSPHF-UHFFFAOYSA-N
MW502.61 g/mol
LogP8.15
Rot. Bonds7

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

1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (PubChem CID 10141859) has the molecular formula C33H30N2O3 and a molecular weight of 502.61 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
PubChem CID10141859
Molecular FormulaC33H30N2O3
Molecular Weight502.61 g/mol
Exact Mass502.23
IUPAC Name1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1)n2C1CCCCC1
InChIInChI=1S/C33H30N2O3/c36-33(37)25-17-20-31-30(21-25)34-32(35(31)27-12-5-2-6-13-27)24-15-18-28(19-16-24)38-22-26-11-7-8-14-29(26)23-9-3-1-4-10-23/h1,3-4,7-11,14-21,27H,2,5-6,12-13,22H2,(H,36,37)
InChIKeyMRHFHIDNFDSPHF-UHFFFAOYSA-N
XLogP8.15
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 ≤ 58.15
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]phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (CID 10141859) is 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is MRHFHIDNFDSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O3/c36-33(37)25-17-20-31-30(21-25)34-32(35(31)27-12-5-2-6-13-27)24-15-18-28(19-16-24)38-22-26-11-7-8-14-29(26)23-9-3-1-4-10-23/h1,3-4,7-11,14-21,27H,2,5-6,12-13,22H2,(H,36,37).
What are the key properties of 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 502.61 g/mol, XLogP of 8.15, 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]phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10141859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).