2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine

C15H20N4O2 — CID 102969562

IUPAC2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N4O2/c1-11(2)15(16)14-9-17-10-18(14)8-7-12-3-5-13(6-4-12)19(20)21/h3-6,9-11,15H,7-8,16H2,1-2H3
InChIKeyJQJILLNDJAMANN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.69
Rot. Bonds6

About 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine

2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine (PubChem CID 102969562) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine
PubChem CID102969562
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N4O2/c1-11(2)15(16)14-9-17-10-18(14)8-7-12-3-5-13(6-4-12)19(20)21/h3-6,9-11,15H,7-8,16H2,1-2H3
InChIKeyJQJILLNDJAMANN-UHFFFAOYSA-N
XLogP2.69
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.69
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'}

Analyze 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine (CID 102969562) is 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1CCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine?
The InChIKey is JQJILLNDJAMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)15(16)14-9-17-10-18(14)8-7-12-3-5-13(6-4-12)19(20)21/h3-6,9-11,15H,7-8,16H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine has a molecular weight of 288.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).