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

C19H22N2 — CID 12915184

IUPAC2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine
SMILESCCCN1C(C)=Nc2ccccc2CC1c1ccccc1
InChIInChI=1S/C19H22N2/c1-3-13-21-15(2)20-18-12-8-7-11-17(18)14-19(21)16-9-5-4-6-10-16/h4-12,19H,3,13-14H2,1-2H3
InChIKeyGULYYMRRYCWEQR-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.75
Rot. Bonds3

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

2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12915184) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID12915184
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine
SMILESCCCN1C(C)=Nc2ccccc2CC1c1ccccc1
InChIInChI=1S/C19H22N2/c1-3-13-21-15(2)20-18-12-8-7-11-17(18)14-19(21)16-9-5-4-6-10-16/h4-12,19H,3,13-14H2,1-2H3
InChIKeyGULYYMRRYCWEQR-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 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine (CID 12915184) is 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine is CCCN1C(C)=Nc2ccccc2CC1c1ccccc1.
What is the InChIKey of 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is GULYYMRRYCWEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-13-21-15(2)20-18-12-8-7-11-17(18)14-19(21)16-9-5-4-6-10-16/h4-12,19H,3,13-14H2,1-2H3.
What are the key properties of 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine?
2-methyl-4-phenyl-3-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 2-methyl-4-phenyl-3-propyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12915184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).