3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine

C19H22N2 — CID 12915180

IUPAC3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine
SMILESCCCC1=Nc2ccccc2CC(c2ccccc2)N1C
InChIInChI=1S/C19H22N2/c1-3-9-19-20-17-13-8-7-12-16(17)14-18(21(19)2)15-10-5-4-6-11-15/h4-8,10-13,18H,3,9,14H2,1-2H3
InChIKeyMEXWHRCKFATFNI-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.75
Rot. Bonds3

About 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine

3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12915180) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID12915180
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine
SMILESCCCC1=Nc2ccccc2CC(c2ccccc2)N1C
InChIInChI=1S/C19H22N2/c1-3-9-19-20-17-13-8-7-12-16(17)14-18(21(19)2)15-10-5-4-6-11-15/h4-8,10-13,18H,3,9,14H2,1-2H3
InChIKeyMEXWHRCKFATFNI-UHFFFAOYSA-N
XLogP4.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine (CID 12915180) is 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine is CCCC1=Nc2ccccc2CC(c2ccccc2)N1C.
What is the InChIKey of 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is MEXWHRCKFATFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-9-19-20-17-13-8-7-12-16(17)14-18(21(19)2)15-10-5-4-6-11-15/h4-8,10-13,18H,3,9,14H2,1-2H3.
What are the key properties of 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine?
3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 278.40 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-2-propyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12915180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).