1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one

C25H24N2O2 — CID 19243607

IUPAC1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC1CN(C(=O)c2ccccc2)c2ccccc2N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C25H24N2O2/c1-18-17-26(25(29)21-13-7-4-8-14-21)22-15-9-10-16-23(22)27(24(18)28)19(2)20-11-5-3-6-12-20/h3-16,18-19H,17H2,1-2H3
InChIKeyAIILMGMHOOOKQM-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.08
Rot. Bonds3

About 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one

1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 19243607) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID19243607
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC1CN(C(=O)c2ccccc2)c2ccccc2N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C25H24N2O2/c1-18-17-26(25(29)21-13-7-4-8-14-21)22-15-9-10-16-23(22)27(24(18)28)19(2)20-11-5-3-6-12-20/h3-16,18-19H,17H2,1-2H3
InChIKeyAIILMGMHOOOKQM-UHFFFAOYSA-N
XLogP5.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one (CID 19243607) is 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one is CC1CN(C(=O)c2ccccc2)c2ccccc2N(C(C)c2ccccc2)C1=O.
What is the InChIKey of 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is AIILMGMHOOOKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18-17-26(25(29)21-13-7-4-8-14-21)22-15-9-10-16-23(22)27(24(18)28)19(2)20-11-5-3-6-12-20/h3-16,18-19H,17H2,1-2H3.
What are the key properties of 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 384.48 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-methyl-5-(1-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 19243607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).