2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine

C7H12IN3 — CID 155077372

IUPAC2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine
SMILESCCc1nc(N)c(CI)n1C
InChIInChI=1S/C7H12IN3/c1-3-6-10-7(9)5(4-8)11(6)2/h3-4,9H2,1-2H3
InChIKeyXHRAXJOVZWUJMJ-UHFFFAOYSA-N
MW265.10 g/mol
LogP1.50
Rot. Bonds2

About 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine

2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine (PubChem CID 155077372) has the molecular formula C7H12IN3 and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine.

Molecular Properties

Compound Name2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine
PubChem CID155077372
Molecular FormulaC7H12IN3
Molecular Weight265.10 g/mol
Exact Mass265.01
IUPAC Name2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine
SMILESCCc1nc(N)c(CI)n1C
InChIInChI=1S/C7H12IN3/c1-3-6-10-7(9)5(4-8)11(6)2/h3-4,9H2,1-2H3
InChIKeyXHRAXJOVZWUJMJ-UHFFFAOYSA-N
XLogP1.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4,5-triethyl-1-methylimidazole
CID 141155597
5-butyl-2-ethyl-3-methylimidazol-4-amine
CID 62225832
3,5-diethyl-4-methyl-1,2,4-triazole
CID 59273822
5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine
CID 62226559
2-ethyl-3-methylimidazol-4-amine
CID 142495641
2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine
CID 90853863
7-bromo-2-ethyl-1-methylbenzimidazol-5-amine
CID 82381674
6-ethyl-1-methyl-1,3,5-triazine-2,4-dione
CID 45092654
2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine
CID 62226219
5-ethyl-1,4-dimethylpyrazol-3-amine
CID 83815114
5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine
CID 55048915
2-ethyl-4-methylimidazole-1,5-diamine
CID 62483589

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine?
The IUPAC name of 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine (CID 155077372) is 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine.
What is the SMILES notation for 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine?
The canonical SMILES for 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine is CCc1nc(N)c(CI)n1C.
What is the InChIKey of 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine?
The InChIKey is XHRAXJOVZWUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IN3/c1-3-6-10-7(9)5(4-8)11(6)2/h3-4,9H2,1-2H3.
What are the key properties of 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine?
2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine has a molecular weight of 265.10 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(iodomethyl)-1-methylimidazol-4-amine is sourced from PubChem (CID 155077372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).