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

C25H18Cl2N6 — CID 10367574

IUPAC8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
SMILESCc1cn2c(n1)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=Nc1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C25H18Cl2N6/c1-14-13-32-24-10-19(27)18(26)9-21(24)31-20(11-25(32)29-14)16-3-5-17(6-4-16)33-15(2)30-22-12-28-8-7-23(22)33/h3-10,12-13H,11H2,1-2H3
InChIKeyVSSLLBNOROTXBE-UHFFFAOYSA-N
MW473.37 g/mol
LogP6.21
Rot. Bonds2

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

8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine (PubChem CID 10367574) has the molecular formula C25H18Cl2N6 and a molecular weight of 473.37 g/mol. Its IUPAC name is 8,9-dichloro-2-methyl-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-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
PubChem CID10367574
Molecular FormulaC25H18Cl2N6
Molecular Weight473.37 g/mol
Exact Mass472.10
IUPAC Name8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
SMILESCc1cn2c(n1)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=Nc1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C25H18Cl2N6/c1-14-13-32-24-10-19(27)18(26)9-21(24)31-20(11-25(32)29-14)16-3-5-17(6-4-16)33-15(2)30-22-12-28-8-7-23(22)33/h3-10,12-13H,11H2,1-2H3
InChIKeyVSSLLBNOROTXBE-UHFFFAOYSA-N
XLogP6.21
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.37
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7,8-Dichloro-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepine-2-thione
CID 10479006
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]purine
CID 145987281
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-9H-purine
CID 25190880
8-Methyl-6-[2-(5-Methyl-1-Phenyl-1h-Benzimidazol-2-Yl)ethyl]imidazo[1,5-A]pyrimidine
CID 74049853
7,8-Dichloro-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10003131
N-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
CID 145966696
5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine
CID 164628551
5-chloro-2-(6-chloro-3-pyridinyl)-1-methyl-1H-1,3-benzimidazole
CID 1473378
1-[4-(2-methyl-4-pyrimidinyl)phenyl]-1H-1,3-benzimidazole
CID 1477797
5-[(4-Chlorophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10066826
8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
CID 10095715
5-[(2-Chlorophenyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10245422

Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-2-methyl-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-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine (CID 10367574) is 8,9-dichloro-2-methyl-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-2-methyl-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-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine is Cc1cn2c(n1)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=Nc1cc(Cl)c(Cl)cc1-2.
What is the InChIKey of 8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine?
The InChIKey is VSSLLBNOROTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N6/c1-14-13-32-24-10-19(27)18(26)9-21(24)31-20(11-25(32)29-14)16-3-5-17(6-4-16)33-15(2)30-22-12-28-8-7-23(22)33/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine?
8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine has a molecular weight of 473.37 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine is sourced from PubChem (CID 10367574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).