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

C12H13ClIN3O — CID 107605184

IUPAC1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1ccc(I)cc1Cl
InChIInChI=1S/C12H13ClIN3O/c1-18-7-5-16-12-15-4-6-17(12)11-3-2-9(14)8-10(11)13/h2-4,6,8H,5,7H2,1H3,(H,15,16)
InChIKeyKMSGGEJIHMIBAK-UHFFFAOYSA-N
MW377.61 g/mol
LogP3.19
Rot. Bonds5

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

1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine (PubChem CID 107605184) has the molecular formula C12H13ClIN3O and a molecular weight of 377.61 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine
PubChem CID107605184
Molecular FormulaC12H13ClIN3O
Molecular Weight377.61 g/mol
Exact Mass376.98
IUPAC Name1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1ccc(I)cc1Cl
InChIInChI=1S/C12H13ClIN3O/c1-18-7-5-16-12-15-4-6-17(12)11-3-2-9(14)8-10(11)13/h2-4,6,8H,5,7H2,1H3,(H,15,16)
InChIKeyKMSGGEJIHMIBAK-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106580686
N-(2-methoxyethyl)-1-[2-(2-methoxyethyl)phenyl]imidazol-2-amine
CID 106582959
1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106576999
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124
1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106582958
1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106580610
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81145300
N-(2-methoxyethyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine
CID 106567653

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine (CID 107605184) is 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine is COCCNc1nccn1-c1ccc(I)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is KMSGGEJIHMIBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClIN3O/c1-18-7-5-16-12-15-4-6-17(12)11-3-2-9(14)8-10(11)13/h2-4,6,8H,5,7H2,1H3,(H,15,16).
What are the key properties of 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine?
1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 377.61 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 107605184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).