7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C25H19ClN4O — CID 69019508

IUPAC7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2N1
InChIInChI=1S/C25H19ClN4O/c26-20-9-6-18(7-10-20)25(30-13-12-27-16-30)19-8-11-22-21(14-19)24(28-15-23(31)29-22)17-4-2-1-3-5-17/h1-14,16,25H,15H2,(H,29,31)
InChIKeyRBLYELOPKHHUBF-UHFFFAOYSA-N
MW426.91 g/mol
LogP4.96
Rot. Bonds4

About 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 69019508) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID69019508
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC Name7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2N1
InChIInChI=1S/C25H19ClN4O/c26-20-9-6-18(7-10-20)25(30-13-12-27-16-30)19-8-11-22-21(14-19)24(28-15-23(31)29-22)17-4-2-1-3-5-17/h1-14,16,25H,15H2,(H,29,31)
InChIKeyRBLYELOPKHHUBF-UHFFFAOYSA-N
XLogP4.96
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 69019508) is 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2N1.
What is the InChIKey of 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is RBLYELOPKHHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c26-20-9-6-18(7-10-20)25(30-13-12-27-16-30)19-8-11-22-21(14-19)24(28-15-23(31)29-22)17-4-2-1-3-5-17/h1-14,16,25H,15H2,(H,29,31).
What are the key properties of 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 426.91 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 69019508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).