8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine

C27H24FN3O — CID 134309466

IUPAC8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESCC1CC(C)(c2ccc3c(c2)C(c2ccccc2F)=NCc2c(-c4ccco4)ncn2-3)C1
InChIInChI=1S/C27H24FN3O/c1-17-13-27(2,14-17)18-9-10-22-20(12-18)25(19-6-3-4-7-21(19)28)29-15-23-26(30-16-31(22)23)24-8-5-11-32-24/h3-12,16-17H,13-15H2,1-2H3
InChIKeyIBGKKXBZPULOFB-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.31
Rot. Bonds3

About 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine

8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 134309466) has the molecular formula C27H24FN3O and a molecular weight of 425.51 g/mol. Its IUPAC name is 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine
PubChem CID134309466
Molecular FormulaC27H24FN3O
Molecular Weight425.51 g/mol
Exact Mass425.19
IUPAC Name8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESCC1CC(C)(c2ccc3c(c2)C(c2ccccc2F)=NCc2c(-c4ccco4)ncn2-3)C1
InChIInChI=1S/C27H24FN3O/c1-17-13-27(2,14-17)18-9-10-22-20(12-18)25(19-6-3-4-7-21(19)28)29-15-23-26(30-16-31(22)23)24-8-5-11-32-24/h3-12,16-17H,13-15H2,1-2H3
InChIKeyIBGKKXBZPULOFB-UHFFFAOYSA-N
XLogP6.31
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-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

5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
1-Benzyl-4-(furan-2-yl)imidazo[4,5-c]pyridine
CID 145977493
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 53036088
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 53115226
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-[4-(propan-2-YL)phenyl]furan-2-carboxamide
CID 53115235
5-[1-Cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 53115319
5-[1-Cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 53115326
5-[1-Cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-[4-(propan-2-YL)phenyl]furan-2-carboxamide
CID 53115335
2-(furan-2-yl)-N-[4-(propan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 4130595
3-[(3-Fluorophenyl)methyl]-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359063
9-[(4-Tert-butylphenyl)methyl]-6-(2-furyl)purine
CID 5270742
4-[[6-(2-furyl)purin-9-yl]methyl]-N,N-dimethyl-aniline
CID 5270851

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 134309466) is 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine is CC1CC(C)(c2ccc3c(c2)C(c2ccccc2F)=NCc2c(-c4ccco4)ncn2-3)C1.
What is the InChIKey of 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine?
The InChIKey is IBGKKXBZPULOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O/c1-17-13-27(2,14-17)18-9-10-22-20(12-18)25(19-6-3-4-7-21(19)28)29-15-23-26(30-16-31(22)23)24-8-5-11-32-24/h3-12,16-17H,13-15H2,1-2H3.
What are the key properties of 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine?
8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 425.51 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylcyclobutyl)-6-(2-fluorophenyl)-3-(furan-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 134309466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).