2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole

C11H9Cl2IN2 — CID 103210719

IUPAC2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole
SMILESClc1cc(C(Cl)Cc2ncc[nH]2)ccc1I
InChIInChI=1S/C11H9Cl2IN2/c12-8(6-11-15-3-4-16-11)7-1-2-10(14)9(13)5-7/h1-5,8H,6H2,(H,15,16)
InChIKeyJLZFILJQHXXWAL-UHFFFAOYSA-N
MW367.02 g/mol
LogP4.19
Rot. Bonds3

About 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole

2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole (PubChem CID 103210719) has the molecular formula C11H9Cl2IN2 and a molecular weight of 367.02 g/mol. Its IUPAC name is 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole
PubChem CID103210719
Molecular FormulaC11H9Cl2IN2
Molecular Weight367.02 g/mol
Exact Mass365.92
IUPAC Name2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole
SMILESClc1cc(C(Cl)Cc2ncc[nH]2)ccc1I
InChIInChI=1S/C11H9Cl2IN2/c12-8(6-11-15-3-4-16-11)7-1-2-10(14)9(13)5-7/h1-5,8H,6H2,(H,15,16)
InChIKeyJLZFILJQHXXWAL-UHFFFAOYSA-N
XLogP4.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.02
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
CID 61085033
2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
CID 61085454
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
CID 61086063
4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine
CID 114996059
2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
CID 61085662
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]-1H-imidazole
CID 79217007
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 61086262
2-[2-chloro-2-(3-fluoro-4-methoxyphenyl)ethyl]-1H-imidazole
CID 62920751
3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol
CID 70281627
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
CID 61096584

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole (CID 103210719) is 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole is Clc1cc(C(Cl)Cc2ncc[nH]2)ccc1I.
What is the InChIKey of 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole?
The InChIKey is JLZFILJQHXXWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2IN2/c12-8(6-11-15-3-4-16-11)7-1-2-10(14)9(13)5-7/h1-5,8H,6H2,(H,15,16).
What are the key properties of 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole?
2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole has a molecular weight of 367.02 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 103210719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).