5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine

C18H17ClN2 — CID 143870470

IUPAC5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine
SMILESC=C1Nc2ccc(C)cc2C(c2ccccc2Cl)=NC1C
InChIInChI=1S/C18H17ClN2/c1-11-8-9-17-15(10-11)18(21-13(3)12(2)20-17)14-6-4-5-7-16(14)19/h4-10,13,20H,2H2,1,3H3
InChIKeyZZCCNKVBPPMTBN-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.81
Rot. Bonds1

About 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine

5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine (PubChem CID 143870470) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine
PubChem CID143870470
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine
SMILESC=C1Nc2ccc(C)cc2C(c2ccccc2Cl)=NC1C
InChIInChI=1S/C18H17ClN2/c1-11-8-9-17-15(10-11)18(21-13(3)12(2)20-17)14-6-4-5-7-16(14)19/h4-10,13,20H,2H2,1,3H3
InChIKeyZZCCNKVBPPMTBN-UHFFFAOYSA-N
XLogP4.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-7-bromo-5-(2-chlorophenyl)-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 1372514
5-(2-chlorophenyl)-3,7-difluoro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23332589
acetic acid;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23617880
potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride
CID 175366173
5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135414401
7-ethynyl-3-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 170380318
8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135400876
7-bromo-5-(2-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 600077
7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
CID 13386708
3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 5089261
3-benzyl-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139414162
[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
CID 630731

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine (CID 143870470) is 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine is C=C1Nc2ccc(C)cc2C(c2ccccc2Cl)=NC1C.
What is the InChIKey of 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine?
The InChIKey is ZZCCNKVBPPMTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-11-8-9-17-15(10-11)18(21-13(3)12(2)20-17)14-6-4-5-7-16(14)19/h4-10,13,20H,2H2,1,3H3.
What are the key properties of 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine?
5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine has a molecular weight of 296.80 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 143870470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).