1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol

C38H36N2O2 — CID 139081365

IUPAC1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C20H16N2.C18H20O2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)21-20(22)17-11-5-2-6-12-17;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h1-14H,15H2;4-11,19-20H,1-3,12-13H2
InChIKeyXUBVJDZEHCUOEH-UHFFFAOYSA-N
MW552.72 g/mol
LogP9.10
Rot. Bonds5

About 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol

1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 139081365) has the molecular formula C38H36N2O2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID139081365
Molecular FormulaC38H36N2O2
Molecular Weight552.72 g/mol
Exact Mass552.28
IUPAC Name1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C20H16N2.C18H20O2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)21-20(22)17-11-5-2-6-12-17;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h1-14H,15H2;4-11,19-20H,1-3,12-13H2
InChIKeyXUBVJDZEHCUOEH-UHFFFAOYSA-N
XLogP9.10
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 59.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol (CID 139081365) is 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol is Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is XUBVJDZEHCUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.C18H20O2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)21-20(22)17-11-5-2-6-12-17;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h1-14H,15H2;4-11,19-20H,1-3,12-13H2.
What are the key properties of 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 552.72 g/mol, XLogP of 9.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenylbenzimidazole;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 139081365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).