2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine

C19H22N2 — CID 12909704

IUPAC2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine
SMILESCCC1=Nc2ccccc2CC(c2ccc(C)cc2)N1C
InChIInChI=1S/C19H22N2/c1-4-19-20-17-8-6-5-7-16(17)13-18(21(19)3)15-11-9-14(2)10-12-15/h5-12,18H,4,13H2,1-3H3
InChIKeySAWIQYONUBNFCE-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.66
Rot. Bonds2

About 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine

2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12909704) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine
PubChem CID12909704
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine
SMILESCCC1=Nc2ccccc2CC(c2ccc(C)cc2)N1C
InChIInChI=1S/C19H22N2/c1-4-19-20-17-8-6-5-7-16(17)13-18(21(19)3)15-11-9-14(2)10-12-15/h5-12,18H,4,13H2,1-3H3
InChIKeySAWIQYONUBNFCE-UHFFFAOYSA-N
XLogP4.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine (CID 12909704) is 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine is CCC1=Nc2ccccc2CC(c2ccc(C)cc2)N1C.
What is the InChIKey of 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is SAWIQYONUBNFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-4-19-20-17-8-6-5-7-16(17)13-18(21(19)3)15-11-9-14(2)10-12-15/h5-12,18H,4,13H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine?
2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 278.40 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12909704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).