8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

C18H13ClFN3 — CID 151250042

IUPAC8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESCc1nc(-c2ccccc2F)c2n1-c1ccc(Cl)cc1C=NC2
InChIInChI=1S/C18H13ClFN3/c1-11-22-18(14-4-2-3-5-15(14)20)17-10-21-9-12-8-13(19)6-7-16(12)23(11)17/h2-9H,10H2,1H3
InChIKeyNSCYQJAWMXBLOW-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.57
Rot. Bonds1

About 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 151250042) has the molecular formula C18H13ClFN3 and a molecular weight of 325.77 g/mol. Its IUPAC name is 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
PubChem CID151250042
Molecular FormulaC18H13ClFN3
Molecular Weight325.77 g/mol
Exact Mass325.08
IUPAC Name8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESCc1nc(-c2ccccc2F)c2n1-c1ccc(Cl)cc1C=NC2
InChIInChI=1S/C18H13ClFN3/c1-11-22-18(14-4-2-3-5-15(14)20)17-10-21-9-12-8-13(19)6-7-16(12)23(11)17/h2-9H,10H2,1H3
InChIKeyNSCYQJAWMXBLOW-UHFFFAOYSA-N
XLogP4.57
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-6-(2-fluorophenyl)-N,N,1-trimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12801958
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 10359044
7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline
CID 86086216
8-chloro-6-(2-fluorophenyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carbaldehyde
CID 88841771
6,8-dichloro-2-(2-fluorophenyl)-3-methylimidazo[1,2-a]pyridine
CID 112680443
8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12802015
8-chloro-3-(methoxymethyl)-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 12802019
6-chloro-3-(2-fluorophenyl)-4-methylpyridazine
CID 112679303
4-(8-chloro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-2-phenylthiomorpholine
CID 70513155
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine
CID 83203131
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid
CID 176552138
1-(8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-N-methoxymethanimine
CID 54440462

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 151250042) is 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine is Cc1nc(-c2ccccc2F)c2n1-c1ccc(Cl)cc1C=NC2.
What is the InChIKey of 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The InChIKey is NSCYQJAWMXBLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3/c1-11-22-18(14-4-2-3-5-15(14)20)17-10-21-9-12-8-13(19)6-7-16(12)23(11)17/h2-9H,10H2,1H3.
What are the key properties of 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 325.77 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 151250042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).