8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine

C18H16ClFN4 — CID 150844643

IUPAC8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine
SMILESCCN1CN=C2CC=C3C(c4ccccc4F)=NN(Cl)C=CC3=C21
InChIInChI=1S/C18H16ClFN4/c1-2-23-11-21-16-8-7-12-13(18(16)23)9-10-24(19)22-17(12)14-5-3-4-6-15(14)20/h3-7,9-10H,2,8,11H2,1H3
InChIKeyKOSMXRVWZNEFCG-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.83
Rot. Bonds2

About 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine

8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine (PubChem CID 150844643) has the molecular formula C18H16ClFN4 and a molecular weight of 342.81 g/mol. Its IUPAC name is 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine.

Molecular Properties

Compound Name8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine
PubChem CID150844643
Molecular FormulaC18H16ClFN4
Molecular Weight342.81 g/mol
Exact Mass342.10
IUPAC Name8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine
SMILESCCN1CN=C2CC=C3C(c4ccccc4F)=NN(Cl)C=CC3=C21
InChIInChI=1S/C18H16ClFN4/c1-2-23-11-21-16-8-7-12-13(18(16)23)9-10-24(19)22-17(12)14-5-3-4-6-15(14)20/h3-7,9-10H,2,8,11H2,1H3
InChIKeyKOSMXRVWZNEFCG-UHFFFAOYSA-N
XLogP3.83
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-Chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine
CID 22329344
5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine
CID 141415561
7-fluoro-7-methyl-2-phenyl-3H-imidazo[1,2-a]pyridine
CID 150646082
1-[9-(4-fluorophenyl)-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaen-11-yl]-N,N-dimethylpiperidin-4-amine
CID 178156430
2-(4-Fluorophenyl)-10-methyl-4-(1-propan-2-ylpiperidin-4-yl)-8,9-dihydropyrimido[1,2-b]diazepine
CID 178156451
9-(4-Fluorophenyl)-11-piperidin-1-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
CID 178156632
(E)-N-(3,5-dimethyl-2,6-dimethylidene-1-pentylpyrimidin-4-yl)-1-(2-fluorophenyl)propan-2-imine
CID 144707264
(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine
CID 145043824
2-(4-Fluorophenyl)-10-methyl-4-(3-methylpyrrolidin-1-yl)-8,9-dihydropyrimido[1,2-b]diazepine
CID 178156457
ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine
CID 145043823
2-(4-Fluorophenyl)-10-methyl-4-(3-methylpyrrolidin-1-yl)-8,9-dihydropyrimido[1,2-b]diazepine;propane
CID 178156456

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine?
The IUPAC name of 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine (CID 150844643) is 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine.
What is the SMILES notation for 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine?
The canonical SMILES for 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine is CCN1CN=C2CC=C3C(c4ccccc4F)=NN(Cl)C=CC3=C21.
What is the InChIKey of 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine?
The InChIKey is KOSMXRVWZNEFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4/c1-2-23-11-21-16-8-7-12-13(18(16)23)9-10-24(19)22-17(12)14-5-3-4-6-15(14)20/h3-7,9-10H,2,8,11H2,1H3.
What are the key properties of 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine?
8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine has a molecular weight of 342.81 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine is sourced from PubChem (CID 150844643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).