2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine

C16H14N2 — CID 59966586

IUPAC2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine
SMILESC=C1CN=C(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H14N2/c1-12-11-17-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)18-12/h2-10,18H,1,11H2
InChIKeyNPSMQDFAOPTWLD-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.46
Rot. Bonds1

About 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine

2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine (PubChem CID 59966586) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine
PubChem CID59966586
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine
SMILESC=C1CN=C(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H14N2/c1-12-11-17-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)18-12/h2-10,18H,1,11H2
InChIKeyNPSMQDFAOPTWLD-UHFFFAOYSA-N
XLogP3.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine (CID 59966586) is 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine is C=C1CN=C(c2ccccc2)c2ccccc2N1.
What is the InChIKey of 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine?
The InChIKey is NPSMQDFAOPTWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-12-11-17-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)18-12/h2-10,18H,1,11H2.
What are the key properties of 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine?
2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine has a molecular weight of 234.30 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 59966586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).