6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine

C17H11ClFN3 — CID 21487182

IUPAC6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine
SMILESFc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nccn1-2
InChIInChI=1S/C17H11ClFN3/c18-14-4-2-1-3-12(14)17-13-9-11(19)5-6-15(13)22-8-7-20-16(22)10-21-17/h1-9H,10H2
InChIKeyUTZIEKCDVMREOV-UHFFFAOYSA-N
MW311.75 g/mol
LogP4.02
Rot. Bonds1

About 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine

6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine (PubChem CID 21487182) has the molecular formula C17H11ClFN3 and a molecular weight of 311.75 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine
PubChem CID21487182
Molecular FormulaC17H11ClFN3
Molecular Weight311.75 g/mol
Exact Mass311.06
IUPAC Name6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine
SMILESFc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nccn1-2
InChIInChI=1S/C17H11ClFN3/c18-14-4-2-1-3-12(14)17-13-9-11(19)5-6-15(13)22-8-7-20-16(22)10-21-17/h1-9H,10H2
InChIKeyUTZIEKCDVMREOV-UHFFFAOYSA-N
XLogP4.02
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
CID 21487149
8-fluoro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21487196
8-chloro-1-[[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyldisulfanyl]methyl]-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 15573094
5-(2-chlorophenyl)-7-fluoro-N-prop-2-ynyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 135783985
8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 70880326
5-(2-chlorophenyl)-N-(1,3-dichloropropan-2-ylideneamino)-8-fluoro-3H-1,4-benzodiazepin-2-amine
CID 21431454
2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine
CID 154327197
1-[8-chloro-6-(2-chlorophenyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
CID 14357896
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 10359044
9-chloro-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine
CID 54574633
3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 14590489
acetic acid;[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
CID 70359440

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine?
The IUPAC name of 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine (CID 21487182) is 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine.
What is the SMILES notation for 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine?
The canonical SMILES for 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine is Fc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nccn1-2.
What is the InChIKey of 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine?
The InChIKey is UTZIEKCDVMREOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3/c18-14-4-2-1-3-12(14)17-13-9-11(19)5-6-15(13)22-8-7-20-16(22)10-21-17/h1-9H,10H2.
What are the key properties of 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine?
6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine has a molecular weight of 311.75 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine is sourced from PubChem (CID 21487182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).