2-benzyl-4-(4-nitrophenyl)-1,3-selenazole

C16H12N2O2Se — CID 11416609

IUPAC2-benzyl-4-(4-nitrophenyl)-1,3-selenazole
SMILESO=[N+]([O-])c1ccc(-c2c[se]c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H12N2O2Se/c19-18(20)14-8-6-13(7-9-14)15-11-21-16(17-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyNZPJHZHDWUGHDO-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.30
Rot. Bonds4

About 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole

2-benzyl-4-(4-nitrophenyl)-1,3-selenazole (PubChem CID 11416609) has the molecular formula C16H12N2O2Se and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole.

Molecular Properties

Compound Name2-benzyl-4-(4-nitrophenyl)-1,3-selenazole
PubChem CID11416609
Molecular FormulaC16H12N2O2Se
Molecular Weight343.24 g/mol
Exact Mass344.01
IUPAC Name2-benzyl-4-(4-nitrophenyl)-1,3-selenazole
SMILESO=[N+]([O-])c1ccc(-c2c[se]c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H12N2O2Se/c19-18(20)14-8-6-13(7-9-14)15-11-21-16(17-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyNZPJHZHDWUGHDO-UHFFFAOYSA-N
XLogP3.30
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-2,5-dimethyl-3-(4-nitrophenyl)pyrrole
CID 23030352
2,6-Dimethyl-4-(4-nitrophenyl)pyridine
CID 257968
1-Benzyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydroindole
CID 71606116
4-(4-Nitrophenyl)-2,6-diphenylpyridine
CID 631783
2,6-Bis(3-nitrostyryl)pyridine
CID 6047556
1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 122229036
Selenazole, 4-(4-nitrophenyl)-
CID 11253789
(T-4)-[2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-kappaN)(4-nitrophenyl)methyl]-3,5-dimethyl-1H-pyrrolato-kappaN]difluoroboron
CID 44471706
Pentafluoro-[4-[4-(3-nitrophenyl)-1,3-selenazol-2-yl]phenyl]-lambda6-sulfane
CID 102334751
Pentafluoro-[4-[4-(4-nitrophenyl)-1,3-selenazol-2-yl]phenyl]-lambda6-sulfane
CID 102334756
2,2-Difluoro-4,12-dimethyl-8-(4-nitrophenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 139043180
4-(4-Nitrophenyl)-2-phenyl-1,3-selenazole
CID 11484289

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole?
The IUPAC name of 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole (CID 11416609) is 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole.
What is the SMILES notation for 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole?
The canonical SMILES for 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole is O=[N+]([O-])c1ccc(-c2c[se]c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole?
The InChIKey is NZPJHZHDWUGHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2Se/c19-18(20)14-8-6-13(7-9-14)15-11-21-16(17-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole?
2-benzyl-4-(4-nitrophenyl)-1,3-selenazole has a molecular weight of 343.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-nitrophenyl)-1,3-selenazole is sourced from PubChem (CID 11416609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).