1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene

C15H14N3- — CID 172828479

IUPAC1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene
SMILESc1ccc(CN2CC(c3ccccc3)=N[N-]2)cc1
InChIInChI=1S/C15H14N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1-10H,11-12H2/q-1
InChIKeyVETZHCWUWAPZDW-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.20
Rot. Bonds3

About 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene

1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene (PubChem CID 172828479) has the molecular formula C15H14N3- and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene.

Molecular Properties

Compound Name1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene
PubChem CID172828479
Molecular FormulaC15H14N3-
Molecular Weight236.30 g/mol
Exact Mass236.12
IUPAC Name1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene
SMILESc1ccc(CN2CC(c3ccccc3)=N[N-]2)cc1
InChIInChI=1S/C15H14N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1-10H,11-12H2/q-1
InChIKeyVETZHCWUWAPZDW-UHFFFAOYSA-N
XLogP3.20
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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CID 173073256
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2-[(4-bromophenyl)methyl]-5-phenyl-4H-pyrazol-3-one
CID 63276721
4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 4985670
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
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1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene?
The IUPAC name of 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene (CID 172828479) is 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene.
What is the SMILES notation for 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene?
The canonical SMILES for 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene is c1ccc(CN2CC(c3ccccc3)=N[N-]2)cc1.
What is the InChIKey of 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene?
The InChIKey is VETZHCWUWAPZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1-10H,11-12H2/q-1.
What are the key properties of 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene?
1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene has a molecular weight of 236.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene is sourced from PubChem (CID 172828479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).