1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine

C12H12IN3 — CID 106554182

IUPAC1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine
SMILESIc1ccc(Nc2nccn2C2CC2)cc1
InChIInChI=1S/C12H12IN3/c13-9-1-3-10(4-2-9)15-12-14-7-8-16(12)11-5-6-11/h1-4,7-8,11H,5-6H2,(H,14,15)
InChIKeyUXHUNYBLUPWCLI-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.57
Rot. Bonds3

About 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine

1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine (PubChem CID 106554182) has the molecular formula C12H12IN3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine
PubChem CID106554182
Molecular FormulaC12H12IN3
Molecular Weight325.15 g/mol
Exact Mass325.01
IUPAC Name1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine
SMILESIc1ccc(Nc2nccn2C2CC2)cc1
InChIInChI=1S/C12H12IN3/c13-9-1-3-10(4-2-9)15-12-14-7-8-16(12)11-5-6-11/h1-4,7-8,11H,5-6H2,(H,14,15)
InChIKeyUXHUNYBLUPWCLI-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-(4-fluorophenyl)imidazol-2-amine
CID 106558712
1-cyclopropyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557354
1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine
CID 106558725
1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557392
N-(4-bromophenyl)-1-cyclohexylimidazol-2-amine
CID 106558625
1-cyclooctyl-N-phenylimidazol-2-amine
CID 106557142
1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine
CID 106559430
N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine
CID 107605190
1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-2-amine
CID 106557535
1-cyclopentyl-N-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557267
N,1-dicyclopropylimidazol-2-amine
CID 106554949
1-cyclopentyl-N-(2,6-dibromophenyl)imidazol-2-amine
CID 107605114

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine (CID 106554182) is 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine is Ic1ccc(Nc2nccn2C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine?
The InChIKey is UXHUNYBLUPWCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3/c13-9-1-3-10(4-2-9)15-12-14-7-8-16(12)11-5-6-11/h1-4,7-8,11H,5-6H2,(H,14,15).
What are the key properties of 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine?
1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine has a molecular weight of 325.15 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-iodophenyl)imidazol-2-amine is sourced from PubChem (CID 106554182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).