2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine

C12H14N4O2 — CID 113334110

IUPAC2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine
SMILESCc1cccc([N+](=O)[O-])c1-n1ccnc1CCN
InChIInChI=1S/C12H14N4O2/c1-9-3-2-4-10(16(17)18)12(9)15-8-7-14-11(15)5-6-13/h2-4,7-8H,5-6,13H2,1H3
InChIKeyUVMSYVAYMLRALB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.59
Rot. Bonds4

About 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine

2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine (PubChem CID 113334110) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine
PubChem CID113334110
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine
SMILESCc1cccc([N+](=O)[O-])c1-n1ccnc1CCN
InChIInChI=1S/C12H14N4O2/c1-9-3-2-4-10(16(17)18)12(9)15-8-7-14-11(15)5-6-13/h2-4,7-8H,5-6,13H2,1H3
InChIKeyUVMSYVAYMLRALB-UHFFFAOYSA-N
XLogP1.59
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(3-methyl-5-nitro-2-pyridinyl)imidazol-2-yl]ethanamine
CID 62476232
2-[1-(5-methyl-3-nitro-2-pyridinyl)imidazol-2-yl]ethanamine
CID 66279415
2-[1-(2-fluoro-5-methoxy-4-nitrophenyl)imidazol-2-yl]ethanamine
CID 107260674
3-[1-(2,6-dimethylphenyl)imidazol-2-yl]propanoic acid
CID 82294272
2-[1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-2-yl]ethanamine
CID 62409820
3-nitro-4-(2-propylimidazol-1-yl)quinoline
CID 103964908
2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
CID 82286818
2-[1-(3-nitro-5-propan-2-yloxyphenyl)imidazol-2-yl]ethanamine
CID 80744341
2-[1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)imidazol-2-yl]ethanamine
CID 66011364
2-[1-(3-fluoro-2-pyridinyl)imidazol-2-yl]ethanamine
CID 62733441
1-[2-(1-methylimidazol-2-yl)ethyl]-4-nitroindole
CID 114531926
N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107109573

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine (CID 113334110) is 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine is Cc1cccc([N+](=O)[O-])c1-n1ccnc1CCN.
What is the InChIKey of 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine?
The InChIKey is UVMSYVAYMLRALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-3-2-4-10(16(17)18)12(9)15-8-7-14-11(15)5-6-13/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine?
2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine has a molecular weight of 246.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine is sourced from PubChem (CID 113334110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).