1-[(3-chlorophenyl)methyl]-2-iodoimidazole

C10H8ClIN2 — CID 131631931

IUPAC1-[(3-chlorophenyl)methyl]-2-iodoimidazole
SMILESClc1cccc(Cn2ccnc2I)c1
InChIInChI=1S/C10H8ClIN2/c11-9-3-1-2-8(6-9)7-14-5-4-13-10(14)12/h1-6H,7H2
InChIKeyNXRITVCTJAEUKB-UHFFFAOYSA-N
MW318.55 g/mol
LogP3.19
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-2-iodoimidazole

1-[(3-chlorophenyl)methyl]-2-iodoimidazole (PubChem CID 131631931) has the molecular formula C10H8ClIN2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-iodoimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-iodoimidazole
PubChem CID131631931
Molecular FormulaC10H8ClIN2
Molecular Weight318.55 g/mol
Exact Mass317.94
IUPAC Name1-[(3-chlorophenyl)methyl]-2-iodoimidazole
SMILESClc1cccc(Cn2ccnc2I)c1
InChIInChI=1S/C10H8ClIN2/c11-9-3-1-2-8(6-9)7-14-5-4-13-10(14)12/h1-6H,7H2
InChIKeyNXRITVCTJAEUKB-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
CID 106570141
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
1-[(3-chlorophenyl)methyl]triazole
CID 12811466
1-benzyl-2-chloroimidazole
CID 11629752
2-iodo-1-(naphthalen-1-ylmethyl)imidazole
CID 102402216

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-iodoimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-iodoimidazole (CID 131631931) is 1-[(3-chlorophenyl)methyl]-2-iodoimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-iodoimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-iodoimidazole is Clc1cccc(Cn2ccnc2I)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-iodoimidazole?
The InChIKey is NXRITVCTJAEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN2/c11-9-3-1-2-8(6-9)7-14-5-4-13-10(14)12/h1-6H,7H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-iodoimidazole?
1-[(3-chlorophenyl)methyl]-2-iodoimidazole has a molecular weight of 318.55 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-iodoimidazole is sourced from PubChem (CID 131631931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).