2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole

C16H12BrN3O2 — CID 82562245

IUPAC2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole
SMILESO=[N+]([O-])c1cccc(Cn2ccnc2-c2ccccc2Br)c1
InChIInChI=1S/C16H12BrN3O2/c17-15-7-2-1-6-14(15)16-18-8-9-19(16)11-12-4-3-5-13(10-12)20(21)22/h1-10H,11H2
InChIKeyFPOPRLRWDHOBEO-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.27
Rot. Bonds4

About 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole

2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole (PubChem CID 82562245) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole
PubChem CID82562245
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC Name2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole
SMILESO=[N+]([O-])c1cccc(Cn2ccnc2-c2ccccc2Br)c1
InChIInChI=1S/C16H12BrN3O2/c17-15-7-2-1-6-14(15)16-18-8-9-19(16)11-12-4-3-5-13(10-12)20(21)22/h1-10H,11H2
InChIKeyFPOPRLRWDHOBEO-UHFFFAOYSA-N
XLogP4.27
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.27
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

3-[[2-(4-nitrophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561642
3-[[2-(4-nitrophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560637
5-bromo-6-chloro-3-[(3-nitrophenyl)methyl]pyrimidin-4-one
CID 114583616
3-[[2-[(3-nitrophenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558759
methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
CID 82561325
3-bromo-5-methyl-1-[(3-nitrophenyl)methyl]pyrazole
CID 172847975
1-[(2-bromo-4-nitrophenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621533
2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole
CID 91101253
2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine
CID 82562220
1-[(3-nitrophenyl)methyl]pyrrole-2-carbonitrile
CID 114652578
3-[2-[(3-nitrophenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558751
3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol
CID 110169633

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole?
The IUPAC name of 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole (CID 82562245) is 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole.
What is the SMILES notation for 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole?
The canonical SMILES for 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole is O=[N+]([O-])c1cccc(Cn2ccnc2-c2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole?
The InChIKey is FPOPRLRWDHOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c17-15-7-2-1-6-14(15)16-18-8-9-19(16)11-12-4-3-5-13(10-12)20(21)22/h1-10H,11H2.
What are the key properties of 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole?
2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole has a molecular weight of 358.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole is sourced from PubChem (CID 82562245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).