1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one

C25H28N4O — CID 25173666

IUPAC1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCc1ccc(N2C(=O)C3(CCN(Cc4nccn4C)CC3)c3ccccc32)cc1C
InChIInChI=1S/C25H28N4O/c1-18-8-9-20(16-19(18)2)29-22-7-5-4-6-21(22)25(24(29)30)10-13-28(14-11-25)17-23-26-12-15-27(23)3/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3
InChIKeyXJVXTJXBXKHPAZ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.25
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one

1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 25173666) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID25173666
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCc1ccc(N2C(=O)C3(CCN(Cc4nccn4C)CC3)c3ccccc32)cc1C
InChIInChI=1S/C25H28N4O/c1-18-8-9-20(16-19(18)2)29-22-7-5-4-6-21(22)25(24(29)30)10-13-28(14-11-25)17-23-26-12-15-27(23)3/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3
InChIKeyXJVXTJXBXKHPAZ-UHFFFAOYSA-N
XLogP4.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Biphenyl-4-Yl)-8-[(1-Methyl-1h-Imidazol-2-Yl)methyl]-2,8-Diazaspiro[4.5]decan-1-One
CID 71748680
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-tert-butylbenzamide
CID 145973554
N-[2-(Diethylamino)ethyl]-4-(1H-imidazol-1-yl)-N-(1naphthalenyl)benzamide
CID 14664362
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)benzamide
CID 15293018
2a-[4-(3,4,6,7-Tetrahydroimidazo[4,5-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 18377342
1'-[(1-Methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 25173339
1'-[(1-Methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173747
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-2-phenylacetamide
CID 44370189
1-(7-Oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-3-phenylurea
CID 44370238
1'-[(1-Methylimidazol-2-yl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 44462748
6-(1-Imidazol-1-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44479884
3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-N-propan-2-ylpropanamide
CID 44547186

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one (CID 25173666) is 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one is Cc1ccc(N2C(=O)C3(CCN(Cc4nccn4C)CC3)c3ccccc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is XJVXTJXBXKHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-8-9-20(16-19(18)2)29-22-7-5-4-6-21(22)25(24(29)30)10-13-28(14-11-25)17-23-26-12-15-27(23)3/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one?
1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 400.53 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25173666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).