2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C22H25N3O — CID 17000859

IUPAC2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2C)c1
InChIInChI=1S/C22H25N3O/c1-16-8-7-10-18(14-16)22-23-19-11-3-4-12-20(19)25(22)15-21(26)24-13-6-5-9-17(24)2/h3-4,7-8,10-12,14,17H,5-6,9,13,15H2,1-2H3
InChIKeyQUSVVADEYFSTML-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.41
Rot. Bonds3

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

2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 17000859) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID17000859
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2C)c1
InChIInChI=1S/C22H25N3O/c1-16-8-7-10-18(14-16)22-23-19-11-3-4-12-20(19)25(22)15-21(26)24-13-6-5-9-17(24)2/h3-4,7-8,10-12,14,17H,5-6,9,13,15H2,1-2H3
InChIKeyQUSVVADEYFSTML-UHFFFAOYSA-N
XLogP4.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 17000859) is 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is Cc1cccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2C)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is QUSVVADEYFSTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-8-7-10-18(14-16)22-23-19-11-3-4-12-20(19)25(22)15-21(26)24-13-6-5-9-17(24)2/h3-4,7-8,10-12,14,17H,5-6,9,13,15H2,1-2H3.
What are the key properties of 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 347.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 17000859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).