1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine

C12H14N4O2 — CID 60843194

IUPAC1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(-c2ccccc2[N+](=O)[O-])[nH]1
InChIInChI=1S/C12H14N4O2/c1-8(13)6-12-14-7-10(15-12)9-4-2-3-5-11(9)16(17)18/h2-5,7-8H,6,13H2,1H3,(H,14,15)
InChIKeyDAAWYPKGYLMQIX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.87
Rot. Bonds4

About 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine

1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 60843194) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID60843194
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(-c2ccccc2[N+](=O)[O-])[nH]1
InChIInChI=1S/C12H14N4O2/c1-8(13)6-12-14-7-10(15-12)9-4-2-3-5-11(9)16(17)18/h2-5,7-8H,6,13H2,1H3,(H,14,15)
InChIKeyDAAWYPKGYLMQIX-UHFFFAOYSA-N
XLogP1.87
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
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

1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43650518
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65459808
1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
CID 60842671
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
N-[[2-(2-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109203
2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine
CID 43651628
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877072
sodium 2-(2-aminopropyl)-6-nitrophenolate
CID 170864462
[2-(2-nitrophenyl)-1H-imidazol-5-yl]methanol
CID 63108243
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721091

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine (CID 60843194) is 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine is CC(N)Cc1ncc(-c2ccccc2[N+](=O)[O-])[nH]1.
What is the InChIKey of 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is DAAWYPKGYLMQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(13)6-12-14-7-10(15-12)9-4-2-3-5-11(9)16(17)18/h2-5,7-8H,6,13H2,1H3,(H,14,15).
What are the key properties of 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine?
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 246.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 60843194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).