1-[(2-nitrophenyl)methyl]-5-phenylimidazole

C16H13N3O2 — CID 58294124

IUPAC1-[(2-nitrophenyl)methyl]-5-phenylimidazole
SMILESO=[N+]([O-])c1ccccc1Cn1cncc1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-19(21)15-9-5-4-8-14(15)11-18-12-17-10-16(18)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyDGULYFQXJPCSOQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.51
Rot. Bonds4

About 1-[(2-nitrophenyl)methyl]-5-phenylimidazole

1-[(2-nitrophenyl)methyl]-5-phenylimidazole (PubChem CID 58294124) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[(2-nitrophenyl)methyl]-5-phenylimidazole.

Molecular Properties

Compound Name1-[(2-nitrophenyl)methyl]-5-phenylimidazole
PubChem CID58294124
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-[(2-nitrophenyl)methyl]-5-phenylimidazole
SMILESO=[N+]([O-])c1ccccc1Cn1cncc1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-19(21)15-9-5-4-8-14(15)11-18-12-17-10-16(18)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyDGULYFQXJPCSOQ-UHFFFAOYSA-N
XLogP3.51
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-amino-2-[3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanol
CID 114705003
2-[[2-carboxy-2-[3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid
CID 70073674
5-(3-methylpyrrolidin-3-yl)-1-[(2-nitrophenyl)methyl]imidazole
CID 114719094
2-methyl-1-[(2-nitrophenyl)methyl]pyrrole
CID 58636935
1-(2-methylpropyl)-5-phenylimidazole
CID 58719875
5-methyl-1-[(2-nitrophenyl)methyl]pyridin-2-one
CID 70330688
1-[(2-nitrophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile
CID 82589132
[1-[(2-nitrophenyl)methyl]imidazol-4-yl]methanamine
CID 106718040
N-methyl-1-[1-[(2-nitrophenyl)methyl]imidazol-2-yl]methanamine
CID 55048706
N-ethyl-1-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101759
5-(bromomethyl)-1-[(2-nitrophenyl)methyl]triazole
CID 14639033
1-[2-(2-nitrophenyl)ethyl]imidazole
CID 63811296

Frequently Asked Questions

What is the IUPAC name of 1-[(2-nitrophenyl)methyl]-5-phenylimidazole?
The IUPAC name of 1-[(2-nitrophenyl)methyl]-5-phenylimidazole (CID 58294124) is 1-[(2-nitrophenyl)methyl]-5-phenylimidazole.
What is the SMILES notation for 1-[(2-nitrophenyl)methyl]-5-phenylimidazole?
The canonical SMILES for 1-[(2-nitrophenyl)methyl]-5-phenylimidazole is O=[N+]([O-])c1ccccc1Cn1cncc1-c1ccccc1.
What is the InChIKey of 1-[(2-nitrophenyl)methyl]-5-phenylimidazole?
The InChIKey is DGULYFQXJPCSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-19(21)15-9-5-4-8-14(15)11-18-12-17-10-16(18)13-6-2-1-3-7-13/h1-10,12H,11H2.
What are the key properties of 1-[(2-nitrophenyl)methyl]-5-phenylimidazole?
1-[(2-nitrophenyl)methyl]-5-phenylimidazole has a molecular weight of 279.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-nitrophenyl)methyl]-5-phenylimidazole is sourced from PubChem (CID 58294124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).