(5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride

C24H25ClN2 — CID 70687135

IUPAC(5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride
SMILESCN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCc1ccccc1.Cl
InChIInChI=1S/C24H24N2.ClH/c1-26-18-21-14-8-9-15-22(21)24(20-12-6-3-7-13-20)25-23(26)17-16-19-10-4-2-5-11-19;/h2-15,24H,16-18H2,1H3;1H/t24-;/m0./s1
InChIKeyWXRFIBGMMVCHCI-JIDHJSLPSA-N
MW376.93 g/mol
LogP5.67
Rot. Bonds4

About (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride

(5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride (PubChem CID 70687135) has the molecular formula C24H25ClN2 and a molecular weight of 376.93 g/mol. Its IUPAC name is (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride.

Molecular Properties

Compound Name(5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride
PubChem CID70687135
Molecular FormulaC24H25ClN2
Molecular Weight376.93 g/mol
Exact Mass376.17
IUPAC Name(5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride
SMILESCN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCc1ccccc1.Cl
InChIInChI=1S/C24H24N2.ClH/c1-26-18-21-14-8-9-15-22(21)24(20-12-6-3-7-13-20)25-23(26)17-16-19-10-4-2-5-11-19;/h2-15,24H,16-18H2,1H3;1H/t24-;/m0./s1
InChIKeyWXRFIBGMMVCHCI-JIDHJSLPSA-N
XLogP5.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride?
The IUPAC name of (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride (CID 70687135) is (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride.
What is the SMILES notation for (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride?
The canonical SMILES for (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride is CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCc1ccccc1.Cl.
What is the InChIKey of (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride?
The InChIKey is WXRFIBGMMVCHCI-JIDHJSLPSA-N. The full InChI is InChI=1S/C24H24N2.ClH/c1-26-18-21-14-8-9-15-22(21)24(20-12-6-3-7-13-20)25-23(26)17-16-19-10-4-2-5-11-19;/h2-15,24H,16-18H2,1H3;1H/t24-;/m0./s1.
What are the key properties of (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride?
(5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine;hydrochloride is sourced from PubChem (CID 70687135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).