N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine

C9H9Cl2IN3+ — CID 44577923

IUPACN-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine
SMILESClc1cc(I)cc(Cl)c1NC1=[NH+]CCN1
InChIInChI=1S/C9H8Cl2IN3/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)/p+1
InChIKeyHSRPTPAPMBHRRJ-UHFFFAOYSA-O
MW357.00 g/mol
LogP1.05
Rot. Bonds1

About N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine

N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine (PubChem CID 44577923) has the molecular formula C9H9Cl2IN3+ and a molecular weight of 357.00 g/mol. Its IUPAC name is N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine
PubChem CID44577923
Molecular FormulaC9H9Cl2IN3+
Molecular Weight357.00 g/mol
Exact Mass355.92
IUPAC NameN-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine
SMILESClc1cc(I)cc(Cl)c1NC1=[NH+]CCN1
InChIInChI=1S/C9H8Cl2IN3/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)/p+1
InChIKeyHSRPTPAPMBHRRJ-UHFFFAOYSA-O
XLogP1.05
TPSA38.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.00
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-3-ium-2-amine?
The IUPAC name of N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine (CID 44577923) is N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine is Clc1cc(I)cc(Cl)c1NC1=[NH+]CCN1.
What is the InChIKey of N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The InChIKey is HSRPTPAPMBHRRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8Cl2IN3/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)/p+1.
What are the key properties of N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine?
N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine has a molecular weight of 357.00 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine is sourced from PubChem (CID 44577923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).