2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one

C18H25N3O — CID 1430418

IUPAC2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1ccc2nc(C3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1
InChIInChI=1S/C18H25N3O/c1-12-5-6-14-15(11-12)20-16(19-14)13-7-9-21(10-8-13)17(22)18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,19,20)
InChIKeyKZXGSKSWTZEOBM-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.62
Rot. Bonds1

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

2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 1430418) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID1430418
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1ccc2nc(C3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1
InChIInChI=1S/C18H25N3O/c1-12-5-6-14-15(11-12)20-16(19-14)13-7-9-21(10-8-13)17(22)18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,19,20)
InChIKeyKZXGSKSWTZEOBM-UHFFFAOYSA-N
XLogP3.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[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]butan-1-one
CID 108733576
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639
(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756879
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
tert-butyl 4-(6-cyclopropyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 58548451
1-(3,4-dimethylphenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butane-1,4-dione
CID 108733616

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one (CID 1430418) is 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one is Cc1ccc2nc(C3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1.
What is the InChIKey of 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is KZXGSKSWTZEOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12-5-6-14-15(11-12)20-16(19-14)13-7-9-21(10-8-13)17(22)18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,19,20).
What are the key properties of 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 299.42 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 1430418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).