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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Related Compounds

2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
N-cyclopentyl-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032820
2-[2-(benzylamino)benzimidazol-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 9119343
1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17002359
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863
3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 22429437
1-(2-methylpiperidin-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999320
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
2,2-dimethyl-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16975055
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16997427
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981753
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050

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).