4-Methyl-1-(4-nitrophenyl)-1H-imidazole

HCID 16005169CAS 90946-21-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cn(-c2ccc([N+](=O)[O-])cc2)cn1
InChIKey
BBTVYTDNOUZWNJ-UHFFFAOYSA-N
Molecular formula
C10H9N3O2
Average molar mass
203.2 g/mol
Monoisotopic mass
203.06947653

Names & identifiers

Preferred name
4-Methyl-1-(4-nitrophenyl)-1H-imidazole
IUPAC
4-methyl-1-(4-nitrophenyl)imidazole
English name
4-Methyl-1-(4-nitrophenyl)-1H-imidazole
Molecular formula
C10H9N3O2
Molecular weight
203.2

Names & synonyms

90946-21-74-METHYL-1-(4-NITROPHENYL)-1H-IMIDAZOLE1H-Imidazole, 4-methyl-1-(4-nitrophenyl)-4-methyl-1-(4-nitrophenyl)imidazoleSCHEMBL1037500DTXSID10580984BBTVYTDNOUZWNJ-UHFFFAOYSA-NAKOS0221774094-(4-methyl-1H-imidazol-1-yl)nitrobenzene4-Methyl-1-(4-nitro-phenyl)-1H-imidazole

Database identifiers

CAS
90946-21-7
PubChem CID
16005169
DTXSID
DTXSID10580984

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
63.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Boiling point
385.9 · 385.9±25.0 °C(Predicted)
Density
1.29 · 1.29±0.1 g/cm3(Predicted)
pka
5.24 · 5.24±0.61(Predicted)

Chemistry & industry

Suppliers5 total

上海伯韵医药科技有限公司13817873692 · [email protected]
上海相辉医药科技有限公司[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]

Related reactions

5 records
New reaction record

Linked notes

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