6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine

C17H17ClN2 — CID 19784474

IUPAC6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
SMILESCC1=Nc2cccc(Cl)c2CC(c2ccccc2)N1C
InChIInChI=1S/C17H17ClN2/c1-12-19-16-10-6-9-15(18)14(16)11-17(20(12)2)13-7-4-3-5-8-13/h3-10,17H,11H2,1-2H3
InChIKeyOCLSBPLXNMNOOH-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.62
Rot. Bonds1

About 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine

6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 19784474) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID19784474
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
SMILESCC1=Nc2cccc(Cl)c2CC(c2ccccc2)N1C
InChIInChI=1S/C17H17ClN2/c1-12-19-16-10-6-9-15(18)14(16)11-17(20(12)2)13-7-4-3-5-8-13/h3-10,17H,11H2,1-2H3
InChIKeyOCLSBPLXNMNOOH-UHFFFAOYSA-N
XLogP4.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine (CID 19784474) is 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine is CC1=Nc2cccc(Cl)c2CC(c2ccccc2)N1C.
What is the InChIKey of 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is OCLSBPLXNMNOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-12-19-16-10-6-9-15(18)14(16)11-17(20(12)2)13-7-4-3-5-8-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 284.79 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 19784474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).