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

C22H15Cl2N5O — CID 10094543

IUPAC7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3C(=O)NC2)cc1
InChIInChI=1S/C22H15Cl2N5O/c1-12-27-20-10-25-7-6-21(20)29(12)14-4-2-13(3-5-14)19-11-26-22(30)15-8-16(23)17(24)9-18(15)28-19/h2-10H,11H2,1H3,(H,26,30)
InChIKeyHTGJLPLFDGFCBG-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.90
Rot. Bonds2

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

7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one (PubChem CID 10094543) has the molecular formula C22H15Cl2N5O and a molecular weight of 436.30 g/mol. Its IUPAC name is 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one.

Molecular Properties

Compound Name7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one
PubChem CID10094543
Molecular FormulaC22H15Cl2N5O
Molecular Weight436.30 g/mol
Exact Mass435.07
IUPAC Name7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3C(=O)NC2)cc1
InChIInChI=1S/C22H15Cl2N5O/c1-12-27-20-10-25-7-6-21(20)29(12)14-4-2-13(3-5-14)19-11-26-22(30)15-8-16(23)17(24)9-18(15)28-19/h2-10H,11H2,1H3,(H,26,30)
InChIKeyHTGJLPLFDGFCBG-UHFFFAOYSA-N
XLogP4.90
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-Dichloro-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 10071745
7,8-Dichloro-1-methyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 10478956
US9738640, Example 1
CID 90479835
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
6-Chloro-1-methyl-1H-benzoimidazole-4-carboxylic acid (1-isobutyl-piperidin-4-ylmethyl)-amide
CID 5324247
4-chloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 884414
(3,4-Dichlorophenyl)-[4-[[(6-imidazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10694580
N-(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-chlorobenzamide
CID 15949522
5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide
CID 71528444
1-(1-benzylpiperidin-4-yl)-5,6-dichloro-N,N-dimethyl-2-(propan-2-ylamino)benzimidazole-4-carboxamide
CID 71528447
5,6-dichloro-N,N-dimethyl-1-[1-(3-methylphenyl)piperidin-4-yl]-2-(propan-2-ylamino)benzimidazole-4-carboxamide
CID 71528587
5,6-dichloro-N,N-dimethyl-1-[1-(4-methylphenyl)piperidin-4-yl]-2-(propan-2-ylamino)benzimidazole-4-carboxamide
CID 71528588

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one?
The IUPAC name of 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one (CID 10094543) is 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one.
What is the SMILES notation for 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one?
The canonical SMILES for 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one is Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3C(=O)NC2)cc1.
What is the InChIKey of 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one?
The InChIKey is HTGJLPLFDGFCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O/c1-12-27-20-10-25-7-6-21(20)29(12)14-4-2-13(3-5-14)19-11-26-22(30)15-8-16(23)17(24)9-18(15)28-19/h2-10H,11H2,1H3,(H,26,30).
What are the key properties of 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one?
7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one has a molecular weight of 436.30 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydro-1,4-benzodiazepin-5-one is sourced from PubChem (CID 10094543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).