1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

C22H17ClN2O — CID 15993697

IUPAC1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2ccccc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN2O/c23-18-10-6-7-16(13-18)15-25-20-12-5-4-11-19(20)22(24-14-21(25)26)17-8-2-1-3-9-17/h1-13H,14-15H2
InChIKeyZMEYWURMTCRLSQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.72
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 15993697) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID15993697
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2ccccc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN2O/c23-18-10-6-7-16(13-18)15-25-20-12-5-4-11-19(20)22(24-14-21(25)26)17-8-2-1-3-9-17/h1-13H,14-15H2
InChIKeyZMEYWURMTCRLSQ-UHFFFAOYSA-N
XLogP4.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 15993697) is 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2)c2ccccc2N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is ZMEYWURMTCRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-18-10-6-7-16(13-18)15-25-20-12-5-4-11-19(20)22(24-14-21(25)26)17-8-2-1-3-9-17/h1-13H,14-15H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 360.84 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 15993697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).