1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone

C21H23N3O — CID 71628854

IUPAC1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2ccccc2n1C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H23N3O/c1-16(25)21-22-19-11-5-6-12-20(19)24(21)18-10-7-13-23(15-18)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3
InChIKeyDZJAZYJFZDILIV-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.08
Rot. Bonds4

About 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone

1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone (PubChem CID 71628854) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone
PubChem CID71628854
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2ccccc2n1C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H23N3O/c1-16(25)21-22-19-11-5-6-12-20(19)24(21)18-10-7-13-23(15-18)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3
InChIKeyDZJAZYJFZDILIV-UHFFFAOYSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 97170827
1-[3-[(3S)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 97170828
1-(1-benzylpiperidin-3-yl)-2-(chloromethyl)benzimidazole
CID 71646521
benzyl (3S)-3-(2-acetylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 97170796
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 97170825
2-(1-chloroethyl)-1-(1-ethylpiperidin-3-yl)benzimidazole
CID 61478078
3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 97166664
1-[1-(oxan-2-yl)benzimidazol-2-yl]ethanone
CID 22478048
methyl 1-(1-benzylpiperidin-3-yl)azetidine-2-carboxylate
CID 115937759

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone?
The IUPAC name of 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone (CID 71628854) is 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone?
The canonical SMILES for 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone is CC(=O)c1nc2ccccc2n1C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone?
The InChIKey is DZJAZYJFZDILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16(25)21-22-19-11-5-6-12-20(19)24(21)18-10-7-13-23(15-18)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3.
What are the key properties of 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone?
1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone has a molecular weight of 333.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone is sourced from PubChem (CID 71628854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).