1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one

C17H23N3O — CID 108733576

IUPAC1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1
InChIInChI=1S/C17H23N3O/c1-3-4-16(21)20-9-7-13(8-10-20)17-18-14-6-5-12(2)11-15(14)19-17/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyCMQICZOSGVNMNH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.38
Rot. Bonds3

About 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one

1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 108733576) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID108733576
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1
InChIInChI=1S/C17H23N3O/c1-3-4-16(21)20-9-7-13(8-10-20)17-18-14-6-5-12(2)11-15(14)19-17/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyCMQICZOSGVNMNH-UHFFFAOYSA-N
XLogP3.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide
CID 108756922
1-(3,4-dimethylphenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butane-1,4-dione
CID 108733616
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 108756963
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756879
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one (CID 108733576) is 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1.
What is the InChIKey of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is CMQICZOSGVNMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-4-16(21)20-9-7-13(8-10-20)17-18-14-6-5-12(2)11-15(14)19-17/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one?
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 108733576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).