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

C24H18N4O — CID 22224570

IUPAC4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3)cc2N1
InChIInChI=1S/C24H18N4O/c29-24-15-22(19-7-4-8-20(13-19)28-12-11-25-16-28)26-21-10-9-18(14-23(21)27-24)17-5-2-1-3-6-17/h1-14,16H,15H2,(H,27,29)
InChIKeySKQGWDRAAWPZGQ-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.00
Rot. Bonds3

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

4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 22224570) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID22224570
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3)cc2N1
InChIInChI=1S/C24H18N4O/c29-24-15-22(19-7-4-8-20(13-19)28-12-11-25-16-28)26-21-10-9-18(14-23(21)27-24)17-5-2-1-3-6-17/h1-14,16H,15H2,(H,27,29)
InChIKeySKQGWDRAAWPZGQ-UHFFFAOYSA-N
XLogP5.00
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one (CID 22224570) is 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one is O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3)cc2N1.
What is the InChIKey of 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is SKQGWDRAAWPZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c29-24-15-22(19-7-4-8-20(13-19)28-12-11-25-16-28)26-21-10-9-18(14-23(21)27-24)17-5-2-1-3-6-17/h1-14,16H,15H2,(H,27,29).
What are the key properties of 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 378.44 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylphenyl)-8-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 22224570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).