8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

C24H17FN4O — CID 22224657

IUPAC8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3F)cc2N1
InChIInChI=1S/C24H17FN4O/c25-20-7-2-1-6-19(20)16-8-9-21-23(13-16)28-24(30)14-22(27-21)17-4-3-5-18(12-17)29-11-10-26-15-29/h1-13,15H,14H2,(H,28,30)
InChIKeyDWHFXDLHZUPSDA-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.14
Rot. Bonds3

About 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 22224657) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID22224657
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3F)cc2N1
InChIInChI=1S/C24H17FN4O/c25-20-7-2-1-6-19(20)16-8-9-21-23(13-16)28-24(30)14-22(27-21)17-4-3-5-18(12-17)29-11-10-26-15-29/h1-13,15H,14H2,(H,28,30)
InChIKeyDWHFXDLHZUPSDA-UHFFFAOYSA-N
XLogP5.14
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imazodan
CID 55918
Agi-5198
CID 56645356
7,8-Dimethyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10453303
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 4463079
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080296
8-(4-Fluoro-phenylethynyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 9888376
4-(3-Imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 9909080
8-(4-Fluoro-phenylethynyl)-4-(3-[1,2,4]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 9931956
4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 9952648
7-Dimethylamino-4-(3-imidazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10201802
4-(3-Imidazol-1-yl-phenyl)-7-isobutylamino-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10297067
4-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (CID 22224657) is 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3F)cc2N1.
What is the InChIKey of 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is DWHFXDLHZUPSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c25-20-7-2-1-6-19(20)16-8-9-21-23(13-16)28-24(30)14-22(27-21)17-4-3-5-18(12-17)29-11-10-26-15-29/h1-13,15H,14H2,(H,28,30).
What are the key properties of 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 396.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 22224657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).