5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C18H19N3O3 — CID 2824984

IUPAC5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCOc1ccc(C=NN2CCC(=O)Nc3ccccc32)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-23-14-8-7-13(17(11-14)24-2)12-19-21-10-9-18(22)20-15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
InChIKeyWZHKFEGPYVCKGD-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.89
Rot. Bonds4

About 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 2824984) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID2824984
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCOc1ccc(C=NN2CCC(=O)Nc3ccccc32)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-23-14-8-7-13(17(11-14)24-2)12-19-21-10-9-18(22)20-15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
InChIKeyWZHKFEGPYVCKGD-UHFFFAOYSA-N
XLogP2.89
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 2824984) is 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one is COc1ccc(C=NN2CCC(=O)Nc3ccccc32)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is WZHKFEGPYVCKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-14-8-7-13(17(11-14)24-2)12-19-21-10-9-18(22)20-15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 2824984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).