5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one

C16H13ClN2O — CID 154109464

IUPAC5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(Cc2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C16H13ClN2O/c17-12-6-7-14-13(9-12)15(18-10-16(20)19-14)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,19,20)
InChIKeyCJMDZCRGXBWNAB-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.32
Rot. Bonds2

About 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one

5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 154109464) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID154109464
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(Cc2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C16H13ClN2O/c17-12-6-7-14-13(9-12)15(18-10-16(20)19-14)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,19,20)
InChIKeyCJMDZCRGXBWNAB-UHFFFAOYSA-N
XLogP3.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12522161
7,9-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788421
7-(6-chloro-3-pyridinyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 167814327
7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69019508
2-[4-(7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenoxy]acetohydrazide
CID 12517313
3-benzyl-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139413985
(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
CID 135747131
5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67474800
3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145475835
6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788422

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one (CID 154109464) is 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(Cc2ccccc2)c2cc(Cl)ccc2N1.
What is the InChIKey of 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is CJMDZCRGXBWNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-6-7-14-13(9-12)15(18-10-16(20)19-14)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,19,20).
What are the key properties of 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one?
5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 284.75 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 154109464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).