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

C25H24N2O4 — CID 4074724

IUPAC4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCOc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3C2c2ccccc2)c(OC)c1
InChIInChI=1S/C25H24N2O4/c1-16-9-12-21-20(13-16)24(17-7-5-4-6-8-17)27(15-23(28)26-21)25(29)19-11-10-18(30-2)14-22(19)31-3/h4-14,24H,15H2,1-3H3,(H,26,28)
InChIKeyDPYGHIDGCJJICM-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.20
Rot. Bonds4

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

4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 4074724) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID4074724
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCOc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3C2c2ccccc2)c(OC)c1
InChIInChI=1S/C25H24N2O4/c1-16-9-12-21-20(13-16)24(17-7-5-4-6-8-17)27(15-23(28)26-21)25(29)19-11-10-18(30-2)14-22(19)31-3/h4-14,24H,15H2,1-3H3,(H,26,28)
InChIKeyDPYGHIDGCJJICM-UHFFFAOYSA-N
XLogP4.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 4074724) is 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is COc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3C2c2ccccc2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is DPYGHIDGCJJICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-16-9-12-21-20(13-16)24(17-7-5-4-6-8-17)27(15-23(28)26-21)25(29)19-11-10-18(30-2)14-22(19)31-3/h4-14,24H,15H2,1-3H3,(H,26,28).
What are the key properties of 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 416.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 4074724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).