2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride

C10H12ClIN2 — CID 70301959

IUPAC2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCc1ccc(I)cc1C1=NCCN1.Cl
InChIInChI=1S/C10H11IN2.ClH/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10;/h2-3,6H,4-5H2,1H3,(H,12,13);1H
InChIKeyULJUYHANKFRDPV-UHFFFAOYSA-N
MW322.58 g/mol
LogP2.37
Rot. Bonds1

About 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 70301959) has the molecular formula C10H12ClIN2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID70301959
Molecular FormulaC10H12ClIN2
Molecular Weight322.58 g/mol
Exact Mass321.97
IUPAC Name2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCc1ccc(I)cc1C1=NCCN1.Cl
InChIInChI=1S/C10H11IN2.ClH/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10;/h2-3,6H,4-5H2,1H3,(H,12,13);1H
InChIKeyULJUYHANKFRDPV-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 70301959) is 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride is Cc1ccc(I)cc1C1=NCCN1.Cl.
What is the InChIKey of 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is ULJUYHANKFRDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2.ClH/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10;/h2-3,6H,4-5H2,1H3,(H,12,13);1H.
What are the key properties of 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 322.58 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 70301959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).