7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

C19H16Cl2N4O — CID 21151727

IUPAC7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCN1C=CN(C2N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC2=O)C1
InChIInChI=1S/C19H16Cl2N4O/c1-24-8-9-25(11-24)18-19(26)22-16-7-6-12(20)10-14(16)17(23-18)13-4-2-3-5-15(13)21/h2-10,18H,11H2,1H3,(H,22,26)
InChIKeyODZOIPZAHAKTMW-UHFFFAOYSA-N
MW387.27 g/mol
LogP3.79
Rot. Bonds2

About 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 21151727) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID21151727
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCN1C=CN(C2N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC2=O)C1
InChIInChI=1S/C19H16Cl2N4O/c1-24-8-9-25(11-24)18-19(26)22-16-7-6-12(20)10-14(16)17(23-18)13-4-2-3-5-15(13)21/h2-10,18H,11H2,1H3,(H,22,26)
InChIKeyODZOIPZAHAKTMW-UHFFFAOYSA-N
XLogP3.79
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride
CID 175366173
acetic acid;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23617880
7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
CID 13386708
(3S)-7-bromo-5-(2-chlorophenyl)-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 1372514
7-bromo-5-(2-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 600077
5-(2-chlorophenyl)-3,7-difluoro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23332589
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 67919374
(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3032960
3-benzyl-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139414162
7-chloro-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 25232475
[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
CID 630731
7-chloro-5-[2-(chloromethyl)phenyl]-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 166935015

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 21151727) is 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one is CN1C=CN(C2N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC2=O)C1.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is ODZOIPZAHAKTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-24-8-9-25(11-24)18-19(26)22-16-7-6-12(20)10-14(16)17(23-18)13-4-2-3-5-15(13)21/h2-10,18H,11H2,1H3,(H,22,26).
What are the key properties of 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 387.27 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-3-(3-methyl-2H-imidazol-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 21151727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).