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

C18H20N2 — CID 12915182

IUPAC3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
SMILESCCN1C(C)=Nc2ccccc2CC1c1ccccc1
InChIInChI=1S/C18H20N2/c1-3-20-14(2)19-17-12-8-7-11-16(17)13-18(20)15-9-5-4-6-10-15/h4-12,18H,3,13H2,1-2H3
InChIKeyALRAQNNFXNCHMO-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.36
Rot. Bonds2

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

3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12915182) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID12915182
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
SMILESCCN1C(C)=Nc2ccccc2CC1c1ccccc1
InChIInChI=1S/C18H20N2/c1-3-20-14(2)19-17-12-8-7-11-16(17)13-18(20)15-9-5-4-6-10-15/h4-12,18H,3,13H2,1-2H3
InChIKeyALRAQNNFXNCHMO-UHFFFAOYSA-N
XLogP4.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine (CID 12915182) is 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine is CCN1C(C)=Nc2ccccc2CC1c1ccccc1.
What is the InChIKey of 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is ALRAQNNFXNCHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-20-14(2)19-17-12-8-7-11-16(17)13-18(20)15-9-5-4-6-10-15/h4-12,18H,3,13H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 264.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12915182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).