N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C9H9Cl3IN3 — CID 11957583

IUPACN-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cc(I)cc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H8Cl2IN3.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2H2,(H2,13,14,15);1H
InChIKeyULCGXOSKNHMYAX-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.39
Rot. Bonds1

About N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 11957583) has the molecular formula C9H9Cl3IN3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID11957583
Molecular FormulaC9H9Cl3IN3
Molecular Weight392.46 g/mol
Exact Mass390.89
IUPAC NameN-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cc(I)cc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H8Cl2IN3.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2H2,(H2,13,14,15);1H
InChIKeyULCGXOSKNHMYAX-UHFFFAOYSA-N
XLogP3.39
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 11957583) is N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.Clc1cc(I)cc(Cl)c1NC1=NCCN1.
What is the InChIKey of N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is ULCGXOSKNHMYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2IN3.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2H2,(H2,13,14,15);1H.
What are the key properties of N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 392.46 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 11957583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).