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

C22H15Cl2N5O — CID 10003131

IUPAC7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=O)C2)cc1
InChIInChI=1S/C22H15Cl2N5O/c1-12-26-20-11-25-7-6-21(20)29(12)14-4-2-13(3-5-14)17-10-22(30)28-19-9-16(24)15(23)8-18(19)27-17/h2-9,11H,10H2,1H3,(H,28,30)
InChIKeyOOHMNGFEBWKEFY-UHFFFAOYSA-N
MW436.30 g/mol
LogP5.50
Rot. Bonds2

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

7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 10003131) has the molecular formula C22H15Cl2N5O and a molecular weight of 436.30 g/mol. Its IUPAC name is 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID10003131
Molecular FormulaC22H15Cl2N5O
Molecular Weight436.30 g/mol
Exact Mass435.07
IUPAC Name7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=O)C2)cc1
InChIInChI=1S/C22H15Cl2N5O/c1-12-26-20-11-25-7-6-21(20)29(12)14-4-2-13(3-5-14)17-10-22(30)28-19-9-16(24)15(23)8-18(19)27-17/h2-9,11H,10H2,1H3,(H,28,30)
InChIKeyOOHMNGFEBWKEFY-UHFFFAOYSA-N
XLogP5.50
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one (CID 10003131) is 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one is Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=O)C2)cc1.
What is the InChIKey of 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is OOHMNGFEBWKEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O/c1-12-26-20-11-25-7-6-21(20)29(12)14-4-2-13(3-5-14)17-10-22(30)28-19-9-16(24)15(23)8-18(19)27-17/h2-9,11H,10H2,1H3,(H,28,30).
What are the key properties of 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 436.30 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 10003131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).