4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C25H24N2O2 — CID 4535026

IUPAC4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1ccc(C)c(C)c1)CC(=O)N2
InChIInChI=1S/C25H24N2O2/c1-16-9-12-22-21(13-16)24(19-7-5-4-6-8-19)27(15-23(28)26-22)25(29)20-11-10-17(2)18(3)14-20/h4-14,24H,15H2,1-3H3,(H,26,28)
InChIKeyCMEGVWILOFRLNC-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.80
Rot. Bonds2

About 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 4535026) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID4535026
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1ccc(C)c(C)c1)CC(=O)N2
InChIInChI=1S/C25H24N2O2/c1-16-9-12-22-21(13-16)24(19-7-5-4-6-8-19)27(15-23(28)26-22)25(29)20-11-10-17(2)18(3)14-20/h4-14,24H,15H2,1-3H3,(H,26,28)
InChIKeyCMEGVWILOFRLNC-UHFFFAOYSA-N
XLogP4.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 4535026) is 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1ccc(C)c(C)c1)CC(=O)N2.
What is the InChIKey of 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is CMEGVWILOFRLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-16-9-12-22-21(13-16)24(19-7-5-4-6-8-19)27(15-23(28)26-22)25(29)20-11-10-17(2)18(3)14-20/h4-14,24H,15H2,1-3H3,(H,26,28).
What are the key properties of 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 384.48 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylbenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 4535026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).