5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole

C16H13N3O2 — CID 24754446

IUPAC5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccc(Cc2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C16H13N3O2/c20-19(21)15-8-6-12(7-9-15)10-14-11-17-16(18-14)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,17,18)
InChIKeyYROJRTQRTFEPIB-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.58
Rot. Bonds4

About 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole

5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole (PubChem CID 24754446) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole
PubChem CID24754446
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccc(Cc2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C16H13N3O2/c20-19(21)15-8-6-12(7-9-15)10-14-11-17-16(18-14)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,17,18)
InChIKeyYROJRTQRTFEPIB-UHFFFAOYSA-N
XLogP3.58
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(4-nitrophenyl)methyl]-1H-imidazole
CID 90695997
3-[2-(4-nitrophenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463622
4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole
CID 11165115
2-methyl-N-[[2-(3-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109153
5-tert-butyl-2-(4-nitrophenyl)-1H-imidazole
CID 90705993
N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
CID 158284704
2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine
CID 142256526
2-[(4-nitrophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 13004923
N-[[2-(3-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109227
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
5-benzyl-3-(3-nitrophenyl)-1H-pyrazole
CID 91385743
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511

Frequently Asked Questions

What is the IUPAC name of 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole?
The IUPAC name of 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole (CID 24754446) is 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole?
The canonical SMILES for 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole is O=[N+]([O-])c1ccc(Cc2cnc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole?
The InChIKey is YROJRTQRTFEPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-19(21)15-8-6-12(7-9-15)10-14-11-17-16(18-14)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,17,18).
What are the key properties of 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole?
5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole has a molecular weight of 279.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole is sourced from PubChem (CID 24754446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).