2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine

C16H16N2 — CID 86177757

IUPAC2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine
SMILESCN1C=NCc2ccccc2C1c1ccccc1
InChIInChI=1S/C16H16N2/c1-18-12-17-11-14-9-5-6-10-15(14)16(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3
InChIKeyAVUDOTCYRCKPSR-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.25
Rot. Bonds1

About 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine

2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine (PubChem CID 86177757) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine.

Molecular Properties

Compound Name2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine
PubChem CID86177757
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine
SMILESCN1C=NCc2ccccc2C1c1ccccc1
InChIInChI=1S/C16H16N2/c1-18-12-17-11-14-9-5-6-10-15(14)16(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3
InChIKeyAVUDOTCYRCKPSR-UHFFFAOYSA-N
XLogP3.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-butan-2-yl-1-phenyl-1,3-dihydroisoindole
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2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine?
The IUPAC name of 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine (CID 86177757) is 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine.
What is the SMILES notation for 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine?
The canonical SMILES for 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine is CN1C=NCc2ccccc2C1c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine?
The InChIKey is AVUDOTCYRCKPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-18-12-17-11-14-9-5-6-10-15(14)16(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3.
What are the key properties of 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine?
2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine has a molecular weight of 236.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine is sourced from PubChem (CID 86177757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).