2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole

C10H10ClIN2 — CID 24779846

IUPAC2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESClc1cccc(I)c1CC1=NCCN1
InChIInChI=1S/C10H10ClIN2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14)
InChIKeyBQQWIMCVPBZVPZ-UHFFFAOYSA-N
MW320.56 g/mol
LogP2.49
Rot. Bonds2

About 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 24779846) has the molecular formula C10H10ClIN2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID24779846
Molecular FormulaC10H10ClIN2
Molecular Weight320.56 g/mol
Exact Mass319.96
IUPAC Name2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESClc1cccc(I)c1CC1=NCCN1
InChIInChI=1S/C10H10ClIN2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14)
InChIKeyBQQWIMCVPBZVPZ-UHFFFAOYSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 52.49
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-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole (CID 24779846) is 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole is Clc1cccc(I)c1CC1=NCCN1.
What is the InChIKey of 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is BQQWIMCVPBZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14).
What are the key properties of 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 320.56 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 24779846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).