7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one

C24H20Cl2N4O — CID 10478956

IUPAC7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCc1nc2cnccc2n1-c1ccc(C2CC(=O)N(C)c3cc(Cl)c(Cl)cc3C2)cc1
InChIInChI=1S/C24H20Cl2N4O/c1-14-28-21-13-27-8-7-22(21)30(14)18-5-3-15(4-6-18)16-9-17-10-19(25)20(26)12-23(17)29(2)24(31)11-16/h3-8,10,12-13,16H,9,11H2,1-2H3
InChIKeyQJGPDQXLXVZMSB-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.73
Rot. Bonds2

About 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one

7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 10478956) has the molecular formula C24H20Cl2N4O and a molecular weight of 451.36 g/mol. Its IUPAC name is 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID10478956
Molecular FormulaC24H20Cl2N4O
Molecular Weight451.36 g/mol
Exact Mass450.10
IUPAC Name7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCc1nc2cnccc2n1-c1ccc(C2CC(=O)N(C)c3cc(Cl)c(Cl)cc3C2)cc1
InChIInChI=1S/C24H20Cl2N4O/c1-14-28-21-13-27-8-7-22(21)30(14)18-5-3-15(4-6-18)16-9-17-10-19(25)20(26)12-23(17)29(2)24(31)11-16/h3-8,10,12-13,16H,9,11H2,1-2H3
InChIKeyQJGPDQXLXVZMSB-UHFFFAOYSA-N
XLogP5.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-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 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 10478956) is 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one is Cc1nc2cnccc2n1-c1ccc(C2CC(=O)N(C)c3cc(Cl)c(Cl)cc3C2)cc1.
What is the InChIKey of 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is QJGPDQXLXVZMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O/c1-14-28-21-13-27-8-7-22(21)30(14)18-5-3-15(4-6-18)16-9-17-10-19(25)20(26)12-23(17)29(2)24(31)11-16/h3-8,10,12-13,16H,9,11H2,1-2H3.
What are the key properties of 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one?
7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 451.36 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 10478956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).