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

C25H18Cl2N6 — CID 10367575

IUPAC8,9-dichloro-1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
SMILESCc1cnc2n1-c1cc(Cl)c(Cl)cc1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)C2
InChIInChI=1S/C25H18Cl2N6/c1-14-12-29-25-11-20(31-21-9-18(26)19(27)10-24(21)32(14)25)16-3-5-17(6-4-16)33-15(2)30-22-13-28-8-7-23(22)33/h3-10,12-13H,11H2,1-2H3
InChIKeyRNBZPQRCAASFEY-UHFFFAOYSA-N
MW473.37 g/mol
LogP6.21
Rot. Bonds2

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

8,9-dichloro-1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine (PubChem CID 10367575) has the molecular formula C25H18Cl2N6 and a molecular weight of 473.37 g/mol. Its IUPAC name is 8,9-dichloro-1-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-1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
PubChem CID10367575
Molecular FormulaC25H18Cl2N6
Molecular Weight473.37 g/mol
Exact Mass472.10
IUPAC Name8,9-dichloro-1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
SMILESCc1cnc2n1-c1cc(Cl)c(Cl)cc1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)C2
InChIInChI=1S/C25H18Cl2N6/c1-14-12-29-25-11-20(31-21-9-18(26)19(27)10-24(21)32(14)25)16-3-5-17(6-4-16)33-15(2)30-22-13-28-8-7-23(22)33/h3-10,12-13H,11H2,1-2H3
InChIKeyRNBZPQRCAASFEY-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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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-1-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-1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine (CID 10367575) is 8,9-dichloro-1-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-1-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-1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine is Cc1cnc2n1-c1cc(Cl)c(Cl)cc1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)C2.
What is the InChIKey of 8,9-dichloro-1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine?
The InChIKey is RNBZPQRCAASFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N6/c1-14-12-29-25-11-20(31-21-9-18(26)19(27)10-24(21)32(14)25)16-3-5-17(6-4-16)33-15(2)30-22-13-28-8-7-23(22)33/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 8,9-dichloro-1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine?
8,9-dichloro-1-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-1-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 10367575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).