2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one

C24H30N4O — CID 175919796

IUPAC2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(N(C)CCc2ccccc2)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H30N4O/c1-18(23-25-21-12-6-7-13-22(21)26-23)24(29)28-15-8-11-20(17-28)27(2)16-14-19-9-4-3-5-10-19/h3-7,9-10,12-13,18,20H,8,11,14-17H2,1-2H3,(H,25,26)
InChIKeyKRXPMXONBNALIY-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.83
Rot. Bonds6

About 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one

2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one (PubChem CID 175919796) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one
PubChem CID175919796
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(N(C)CCc2ccccc2)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H30N4O/c1-18(23-25-21-12-6-7-13-22(21)26-23)24(29)28-15-8-11-20(17-28)27(2)16-14-19-9-4-3-5-10-19/h3-7,9-10,12-13,18,20H,8,11,14-17H2,1-2H3,(H,25,26)
InChIKeyKRXPMXONBNALIY-UHFFFAOYSA-N
XLogP3.83
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45197583
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 45202124
1-[3,5-dimethyl-4-[(3S)-3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 25279549
1-[3,5-dimethyl-4-[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 45199506
2-methyl-6-[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]pyridazin-3-one
CID 56705502
(3S)-3-[methyl(2-phenylethyl)amino]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 42456207
3-imidazo[1,2-a]pyridin-2-yl-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one
CID 45205814
[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 25306950
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 25455767

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one (CID 175919796) is 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCC(N(C)CCc2ccccc2)C1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is KRXPMXONBNALIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18(23-25-21-12-6-7-13-22(21)26-23)24(29)28-15-8-11-20(17-28)27(2)16-14-19-9-4-3-5-10-19/h3-7,9-10,12-13,18,20H,8,11,14-17H2,1-2H3,(H,25,26).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one?
2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 390.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 175919796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).