1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone

C21H23N3O — CID 17000581

IUPAC1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2c(-c3ccccc3)nc3ccccc32)CC1
InChIInChI=1S/C21H23N3O/c1-16-11-13-23(14-12-16)20(25)15-24-19-10-6-5-9-18(19)22-21(24)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKeyHVHPPQHCXJRLBN-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.96
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone (PubChem CID 17000581) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
PubChem CID17000581
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2c(-c3ccccc3)nc3ccccc32)CC1
InChIInChI=1S/C21H23N3O/c1-16-11-13-23(14-12-16)20(25)15-24-19-10-6-5-9-18(19)22-21(24)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKeyHVHPPQHCXJRLBN-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone (CID 17000581) is 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone is CC1CCN(C(=O)Cn2c(-c3ccccc3)nc3ccccc32)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone?
The InChIKey is HVHPPQHCXJRLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-11-13-23(14-12-16)20(25)15-24-19-10-6-5-9-18(19)22-21(24)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone has a molecular weight of 333.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 17000581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).