1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one

C26H25N3O2 — CID 50814325

IUPAC1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one
SMILESO=C1N(Cc2ccccc2)CCCN1c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H25N3O2/c30-25(29-17-14-21-10-4-5-13-24(21)29)22-11-6-12-23(18-22)28-16-7-15-27(26(28)31)19-20-8-2-1-3-9-20/h1-6,8-13,18H,7,14-17,19H2
InChIKeyJDIMPEXZFHRZKW-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.72
Rot. Bonds4

About 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one

1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one (PubChem CID 50814325) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one
PubChem CID50814325
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one
SMILESO=C1N(Cc2ccccc2)CCCN1c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H25N3O2/c30-25(29-17-14-21-10-4-5-13-24(21)29)22-11-6-12-23(18-22)28-16-7-15-27(26(28)31)19-20-8-2-1-3-9-20/h1-6,8-13,18H,7,14-17,19H2
InChIKeyJDIMPEXZFHRZKW-UHFFFAOYSA-N
XLogP4.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one
CID 50814385
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 50814389
methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate
CID 50814326
3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylbenzamide
CID 50813895
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-diazinan-2-one
CID 50814335
3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93040103
3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
CID 90104032
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-(2-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814175

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one (CID 50814325) is 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one is O=C1N(Cc2ccccc2)CCCN1c1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is JDIMPEXZFHRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-25(29-17-14-21-10-4-5-13-24(21)29)22-11-6-12-23(18-22)28-16-7-15-27(26(28)31)19-20-8-2-1-3-9-20/h1-6,8-13,18H,7,14-17,19H2.
What are the key properties of 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one?
1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 411.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 50814325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).