(3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one

C22H26N4O — CID 11783411

IUPAC(3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one
SMILESCCN(CC)C1=Nc2ccccc2N(c2ccccc2)C(=O)/C1=C\N(C)C
InChIInChI=1S/C22H26N4O/c1-5-25(6-2)21-18(16-24(3)4)22(27)26(17-12-8-7-9-13-17)20-15-11-10-14-19(20)23-21/h7-16H,5-6H2,1-4H3/b18-16-
InChIKeyFIKRQMAOPASZRF-VLGSPTGOSA-N
MW362.48 g/mol
LogP4.18
Rot. Bonds4

About (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one

(3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one (PubChem CID 11783411) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one
PubChem CID11783411
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one
SMILESCCN(CC)C1=Nc2ccccc2N(c2ccccc2)C(=O)/C1=C\N(C)C
InChIInChI=1S/C22H26N4O/c1-5-25(6-2)21-18(16-24(3)4)22(27)26(17-12-8-7-9-13-17)20-15-11-10-14-19(20)23-21/h7-16H,5-6H2,1-4H3/b18-16-
InChIKeyFIKRQMAOPASZRF-VLGSPTGOSA-N
XLogP4.18
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-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 (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one?
The IUPAC name of (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one (CID 11783411) is (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one.
What is the SMILES notation for (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one?
The canonical SMILES for (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one is CCN(CC)C1=Nc2ccccc2N(c2ccccc2)C(=O)/C1=C\N(C)C.
What is the InChIKey of (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one?
The InChIKey is FIKRQMAOPASZRF-VLGSPTGOSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-25(6-2)21-18(16-24(3)4)22(27)26(17-12-8-7-9-13-17)20-15-11-10-14-19(20)23-21/h7-16H,5-6H2,1-4H3/b18-16-.
What are the key properties of (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one?
(3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one has a molecular weight of 362.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(diethylamino)-3-(dimethylaminomethylidene)-1-phenyl-1,5-benzodiazepin-2-one is sourced from PubChem (CID 11783411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).