[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone

C21H23N3O — CID 91947140

IUPAC[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cc1
InChIInChI=1S/C21H23N3O/c1-15-9-11-16(12-10-15)21(25)24-13-5-6-17(14-24)20-22-18-7-3-4-8-19(18)23(20)2/h3-4,7-12,17H,5-6,13-14H2,1-2H3
InChIKeyNIXGCEUHSQJRMY-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.90
Rot. Bonds2

About [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 91947140) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID91947140
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cc1
InChIInChI=1S/C21H23N3O/c1-15-9-11-16(12-10-15)21(25)24-13-5-6-17(14-24)20-22-18-7-3-4-8-19(18)23(20)2/h3-4,7-12,17H,5-6,13-14H2,1-2H3
InChIKeyNIXGCEUHSQJRMY-UHFFFAOYSA-N
XLogP3.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 46975714
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947166
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone
CID 91947097
1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 91947124
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 92626049

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone (CID 91947140) is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cc1.
What is the InChIKey of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is NIXGCEUHSQJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-9-11-16(12-10-15)21(25)24-13-5-6-17(14-24)20-22-18-7-3-4-8-19(18)23(20)2/h3-4,7-12,17H,5-6,13-14H2,1-2H3.
What are the key properties of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 333.44 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 91947140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).