(2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone

C21H22N2O2 — CID 134140018

IUPAC(2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H22N2O2/c1-25-17-13-11-16(12-14-17)21(24)23-19-10-6-5-9-18(19)22-20(23)15-7-3-2-4-8-15/h5-6,9-15H,2-4,7-8H2,1H3
InChIKeyZVMFOTLGDWTGMA-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.78
Rot. Bonds3

About (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone

(2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 134140018) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID134140018
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H22N2O2/c1-25-17-13-11-16(12-14-17)21(24)23-19-10-6-5-9-18(19)22-20(23)15-7-3-2-4-8-15/h5-6,9-15H,2-4,7-8H2,1H3
InChIKeyZVMFOTLGDWTGMA-UHFFFAOYSA-N
XLogP4.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone (CID 134140018) is (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2c(C3CCCCC3)nc3ccccc32)cc1.
What is the InChIKey of (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is ZVMFOTLGDWTGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-17-13-11-16(12-14-17)21(24)23-19-10-6-5-9-18(19)22-20(23)15-7-3-2-4-8-15/h5-6,9-15H,2-4,7-8H2,1H3.
What are the key properties of (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone?
(2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 334.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 134140018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).