2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride

C17H19ClN2 — CID 11954359

IUPAC2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride
SMILESCC1=Nc2ccccc2CC(c2ccccc2)N1C.Cl
InChIInChI=1S/C17H18N2.ClH/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14;/h3-11,17H,12H2,1-2H3;1H
InChIKeyRKGYKBFILSMGSV-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.39
Rot. Bonds1

About 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride

2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride (PubChem CID 11954359) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride
PubChem CID11954359
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride
SMILESCC1=Nc2ccccc2CC(c2ccccc2)N1C.Cl
InChIInChI=1S/C17H18N2.ClH/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14;/h3-11,17H,12H2,1-2H3;1H
InChIKeyRKGYKBFILSMGSV-UHFFFAOYSA-N
XLogP4.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride?
The IUPAC name of 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride (CID 11954359) is 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride?
The canonical SMILES for 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride is CC1=Nc2ccccc2CC(c2ccccc2)N1C.Cl.
What is the InChIKey of 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride?
The InChIKey is RKGYKBFILSMGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.ClH/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14;/h3-11,17H,12H2,1-2H3;1H.
What are the key properties of 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride?
2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine;hydrochloride is sourced from PubChem (CID 11954359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).