8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine

C24H16Cl2N6 — CID 10095715

IUPAC8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3-n3ccnc3C2)cc1
InChIInChI=1S/C24H16Cl2N6/c1-14-29-21-13-27-7-6-22(21)32(14)16-4-2-15(3-5-16)19-12-24-28-8-9-31(24)23-11-18(26)17(25)10-20(23)30-19/h2-11,13H,12H2,1H3
InChIKeyQDXNWIMBMVVCAE-UHFFFAOYSA-N
MW459.34 g/mol
LogP5.90
Rot. Bonds2

About 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine

8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine (PubChem CID 10095715) has the molecular formula C24H16Cl2N6 and a molecular weight of 459.34 g/mol. Its IUPAC name is 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine.

Molecular Properties

Compound Name8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
PubChem CID10095715
Molecular FormulaC24H16Cl2N6
Molecular Weight459.34 g/mol
Exact Mass458.08
IUPAC Name8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3-n3ccnc3C2)cc1
InChIInChI=1S/C24H16Cl2N6/c1-14-29-21-13-27-7-6-22(21)32(14)16-4-2-15(3-5-16)19-12-24-28-8-9-31(24)23-11-18(26)17(25)10-20(23)30-19/h2-11,13H,12H2,1H3
InChIKeyQDXNWIMBMVVCAE-UHFFFAOYSA-N
XLogP5.90
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine 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 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine?
The IUPAC name of 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine (CID 10095715) is 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine.
What is the SMILES notation for 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine?
The canonical SMILES for 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine is Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3-n3ccnc3C2)cc1.
What is the InChIKey of 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine?
The InChIKey is QDXNWIMBMVVCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N6/c1-14-29-21-13-27-7-6-22(21)32(14)16-4-2-15(3-5-16)19-12-24-28-8-9-31(24)23-11-18(26)17(25)10-20(23)30-19/h2-11,13H,12H2,1H3.
What are the key properties of 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine?
8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine has a molecular weight of 459.34 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine is sourced from PubChem (CID 10095715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).