[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine

C10H9ClIN3 — CID 107608533

IUPAC[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1ccc(I)cc1Cl
InChIInChI=1S/C10H9ClIN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2
InChIKeyXJUWLCVYZHQXIB-UHFFFAOYSA-N
MW333.56 g/mol
LogP2.59
Rot. Bonds2

About [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine

[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine (PubChem CID 107608533) has the molecular formula C10H9ClIN3 and a molecular weight of 333.56 g/mol. Its IUPAC name is [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
PubChem CID107608533
Molecular FormulaC10H9ClIN3
Molecular Weight333.56 g/mol
Exact Mass332.95
IUPAC Name[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1ccc(I)cc1Cl
InChIInChI=1S/C10H9ClIN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2
InChIKeyXJUWLCVYZHQXIB-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 52.59
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

[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
CID 114702535
N-[[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107608528
[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
CID 114706823
4-[5-(2-aminoethyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 114003670
2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
CID 107608546
1-(2-chloro-4-iodophenyl)pyrazol-3-amine
CID 107608588
[3-(4-fluorophenyl)imidazol-4-yl]methanamine
CID 82504796
4-[5-(aminomethyl)imidazol-1-yl]phenol
CID 84662013
2-[1-(2-chloro-4-iodophenyl)triazol-4-yl]ethanamine
CID 107607856
1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
CID 83896907
2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
CID 114716286

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine (CID 107608533) is [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine is NCc1cncn1-c1ccc(I)cc1Cl.
What is the InChIKey of [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine?
The InChIKey is XJUWLCVYZHQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2.
What are the key properties of [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine?
[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine has a molecular weight of 333.56 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 107608533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).