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

C16H21N3O — CID 116567574

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCn1c(CC(=O)C2(C)CCNCC2)nc2ccccc21
InChIInChI=1S/C16H21N3O/c1-16(7-9-17-10-8-16)14(20)11-15-18-12-5-3-4-6-13(12)19(15)2/h3-6,17H,7-11H2,1-2H3
InChIKeyLQIZAYCDXPGESO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.07
Rot. Bonds3

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

2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone (PubChem CID 116567574) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
PubChem CID116567574
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCn1c(CC(=O)C2(C)CCNCC2)nc2ccccc21
InChIInChI=1S/C16H21N3O/c1-16(7-9-17-10-8-16)14(20)11-15-18-12-5-3-4-6-13(12)19(15)2/h3-6,17H,7-11H2,1-2H3
InChIKeyLQIZAYCDXPGESO-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 116570155
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
CID 119889945
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836
2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
CID 116547792
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
CID 116586248

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone (CID 116567574) is 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone is Cn1c(CC(=O)C2(C)CCNCC2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone?
The InChIKey is LQIZAYCDXPGESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(7-9-17-10-8-16)14(20)11-15-18-12-5-3-4-6-13(12)19(15)2/h3-6,17H,7-11H2,1-2H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone?
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 116567574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).