8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

C19H15ClN4O — CID 12802015

IUPAC8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCc1nc(C(N)=O)c2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
InChIInChI=1S/C19H15ClN4O/c1-11-23-18(19(21)25)16-10-22-17(12-5-3-2-4-6-12)14-9-13(20)7-8-15(14)24(11)16/h2-9H,10H2,1H3,(H2,21,25)
InChIKeyPRVLPKDVTIWRIX-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.28
Rot. Bonds2

About 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 12802015) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
PubChem CID12802015
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCc1nc(C(N)=O)c2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
InChIInChI=1S/C19H15ClN4O/c1-11-23-18(19(21)25)16-10-22-17(12-5-3-2-4-6-12)14-9-13(20)7-8-15(14)24(11)16/h2-9H,10H2,1H3,(H2,21,25)
InChIKeyPRVLPKDVTIWRIX-UHFFFAOYSA-N
XLogP3.28
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-3-(methoxymethyl)-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 12802019
8-chloro-6-(2-fluorophenyl)-N,N,1-trimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12801958
1-(8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-N-methoxymethanimine
CID 54440462
ethane;methane;1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
CID 157349812
8-chloro-6-(2-chlorophenyl)-1-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12802002
4-aminobutanoic acid;8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 129031158
1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
CID 21482267
8-chloro-N,N-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide
CID 21486010
2-(7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetamide
CID 3054334
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 67401336
8-chloro-N,N-diethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide
CID 21486014
1-acetyl-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570847

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 12802015) is 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is Cc1nc(C(N)=O)c2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2.
What is the InChIKey of 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The InChIKey is PRVLPKDVTIWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-11-23-18(19(21)25)16-10-22-17(12-5-3-2-4-6-12)14-9-13(20)7-8-15(14)24(11)16/h2-9H,10H2,1H3,(H2,21,25).
What are the key properties of 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 12802015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).