8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine

C14H13ClFN3 — CID 22329344

IUPAC8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine
SMILESCC1=NCN2CC(c3ccccc3F)=CN(Cl)C=C12
InChIInChI=1S/C14H13ClFN3/c1-10-14-8-19(15)7-11(6-18(14)9-17-10)12-4-2-3-5-13(12)16/h2-5,7-8H,6,9H2,1H3
InChIKeyWNTLOXMBURINTC-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.21
Rot. Bonds1

About 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine

8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine (PubChem CID 22329344) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine
PubChem CID22329344
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine
SMILESCC1=NCN2CC(c3ccccc3F)=CN(Cl)C=C12
InChIInChI=1S/C14H13ClFN3/c1-10-14-8-19(15)7-11(6-18(14)9-17-10)12-4-2-3-5-13(12)16/h2-5,7-8H,6,9H2,1H3
InChIKeyWNTLOXMBURINTC-UHFFFAOYSA-N
XLogP3.21
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine (CID 22329344) is 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine is CC1=NCN2CC(c3ccccc3F)=CN(Cl)C=C12.
What is the InChIKey of 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is WNTLOXMBURINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3/c1-10-14-8-19(15)7-11(6-18(14)9-17-10)12-4-2-3-5-13(12)16/h2-5,7-8H,6,9H2,1H3.
What are the key properties of 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine?
8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 277.73 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 22329344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).