1-(4-chloro-2-iodophenyl)imidazol-2-amine

C9H7ClIN3 — CID 107628322

IUPAC1-(4-chloro-2-iodophenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(Cl)cc1I
InChIInChI=1S/C9H7ClIN3/c10-6-1-2-8(7(11)5-6)14-4-3-13-9(14)12/h1-5H,(H2,12,13)
InChIKeyMEQDVKWHAXZCRR-UHFFFAOYSA-N
MW319.53 g/mol
LogP2.71
Rot. Bonds1

About 1-(4-chloro-2-iodophenyl)imidazol-2-amine

1-(4-chloro-2-iodophenyl)imidazol-2-amine (PubChem CID 107628322) has the molecular formula C9H7ClIN3 and a molecular weight of 319.53 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)imidazol-2-amine
PubChem CID107628322
Molecular FormulaC9H7ClIN3
Molecular Weight319.53 g/mol
Exact Mass318.94
IUPAC Name1-(4-chloro-2-iodophenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(Cl)cc1I
InChIInChI=1S/C9H7ClIN3/c10-6-1-2-8(7(11)5-6)14-4-3-13-9(14)12/h1-5H,(H2,12,13)
InChIKeyMEQDVKWHAXZCRR-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 52.71
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-(4-fluoro-2-iodophenyl)imidazol-2-amine
CID 106576379
1-(4-chlorophenyl)imidazol-2-amine
CID 106558475
1-(3-chlorophenyl)imidazol-2-amine
CID 106558369
1-(2-fluoro-4-methylphenyl)imidazol-2-amine
CID 106560390
1-(2-chloro-5-methylphenyl)imidazol-2-amine
CID 107628162
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(2-fluoro-5-methoxyphenyl)imidazol-2-amine
CID 106576957
4-(4-chloro-2-iodophenyl)-1,2,4-triazole
CID 66744706
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
1-(4-fluoro-3-methylphenyl)imidazol-2-amine
CID 106570575
1-(5-fluoro-2-methylphenyl)imidazol-2-amine
CID 106559251

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)imidazol-2-amine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)imidazol-2-amine (CID 107628322) is 1-(4-chloro-2-iodophenyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)imidazol-2-amine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)imidazol-2-amine is Nc1nccn1-c1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)imidazol-2-amine?
The InChIKey is MEQDVKWHAXZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClIN3/c10-6-1-2-8(7(11)5-6)14-4-3-13-9(14)12/h1-5H,(H2,12,13).
What are the key properties of 1-(4-chloro-2-iodophenyl)imidazol-2-amine?
1-(4-chloro-2-iodophenyl)imidazol-2-amine has a molecular weight of 319.53 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)imidazol-2-amine is sourced from PubChem (CID 107628322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).