2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole

C26H33N3O — CID 46888827

IUPAC2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cn2c(C3CCCN(C4CCCCC4)C3)nc3ccccc32)cc1
InChIInChI=1S/C26H33N3O/c1-30-23-15-13-20(14-16-23)18-29-25-12-6-5-11-24(25)27-26(29)21-8-7-17-28(19-21)22-9-3-2-4-10-22/h5-6,11-16,21-22H,2-4,7-10,17-19H2,1H3
InChIKeyYLEDBIZRBVHBJQ-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.61
Rot. Bonds5

About 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole

2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole (PubChem CID 46888827) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole
PubChem CID46888827
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cn2c(C3CCCN(C4CCCCC4)C3)nc3ccccc32)cc1
InChIInChI=1S/C26H33N3O/c1-30-23-15-13-20(14-16-23)18-29-25-12-6-5-11-24(25)27-26(29)21-8-7-17-28(19-21)22-9-3-2-4-10-22/h5-6,11-16,21-22H,2-4,7-10,17-19H2,1H3
InChIKeyYLEDBIZRBVHBJQ-UHFFFAOYSA-N
XLogP5.61
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
1-[(4-fluorophenyl)methyl]-2-[(3S)-1-methylpiperidin-3-yl]benzimidazole
CID 46888882
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774
4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
CID 17005290
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005302
4-(1-benzylbenzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 4242932
(4S)-1-(4-ethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35180053
1-(2,6-dimethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003148

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole (CID 46888827) is 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole is COc1ccc(Cn2c(C3CCCN(C4CCCCC4)C3)nc3ccccc32)cc1.
What is the InChIKey of 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The InChIKey is YLEDBIZRBVHBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-30-23-15-13-20(14-16-23)18-29-25-12-6-5-11-24(25)27-26(29)21-8-7-17-28(19-21)22-9-3-2-4-10-22/h5-6,11-16,21-22H,2-4,7-10,17-19H2,1H3.
What are the key properties of 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole has a molecular weight of 403.57 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 46888827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).