2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine

C18H18N2 — CID 44563825

IUPAC2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine
SMILESCc1ccc(C2=NCCCN=C2c2ccccc2)cc1
InChIInChI=1S/C18H18N2/c1-14-8-10-16(11-9-14)18-17(19-12-5-13-20-18)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3
InChIKeyOBCPVAYJOFZZMM-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.68
Rot. Bonds2

About 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine

2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine (PubChem CID 44563825) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine
PubChem CID44563825
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine
SMILESCc1ccc(C2=NCCCN=C2c2ccccc2)cc1
InChIInChI=1S/C18H18N2/c1-14-8-10-16(11-9-14)18-17(19-12-5-13-20-18)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3
InChIKeyOBCPVAYJOFZZMM-UHFFFAOYSA-N
XLogP3.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine?
The IUPAC name of 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine (CID 44563825) is 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine?
The canonical SMILES for 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine is Cc1ccc(C2=NCCCN=C2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine?
The InChIKey is OBCPVAYJOFZZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-14-8-10-16(11-9-14)18-17(19-12-5-13-20-18)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine?
2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine has a molecular weight of 262.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine is sourced from PubChem (CID 44563825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).