4-iodo-1-methyl-2-phenylsulfanylimidazole

C10H9IN2S — CID 102387990

IUPAC4-iodo-1-methyl-2-phenylsulfanylimidazole
SMILESCn1cc(I)nc1Sc1ccccc1
InChIInChI=1S/C10H9IN2S/c1-13-7-9(11)12-10(13)14-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyMFPIUZALLZLEJU-UHFFFAOYSA-N
MW316.17 g/mol
LogP3.18
Rot. Bonds2

About 4-iodo-1-methyl-2-phenylsulfanylimidazole

4-iodo-1-methyl-2-phenylsulfanylimidazole (PubChem CID 102387990) has the molecular formula C10H9IN2S and a molecular weight of 316.17 g/mol. Its IUPAC name is 4-iodo-1-methyl-2-phenylsulfanylimidazole.

Molecular Properties

Compound Name4-iodo-1-methyl-2-phenylsulfanylimidazole
PubChem CID102387990
Molecular FormulaC10H9IN2S
Molecular Weight316.17 g/mol
Exact Mass315.95
IUPAC Name4-iodo-1-methyl-2-phenylsulfanylimidazole
SMILESCn1cc(I)nc1Sc1ccccc1
InChIInChI=1S/C10H9IN2S/c1-13-7-9(11)12-10(13)14-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyMFPIUZALLZLEJU-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Phenylsulfanylbutyl)imidazole
CID 58580494
4-[(1-methyl-1H-imidazol-2-yl)thio]aniline
CID 609601
1-Methylimidazole, 2-benzylthio-
CID 563318
5-phenylsulfanyl-1H-imidazole
CID 4365996
2-[2-(Benzenesulfonyl)ethylsulfanyl]-1-methylimidazole
CID 2821197
1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-
CID 3730978
2-(Phenylthio)imidazole
CID 21994921
1-Methyl-2-phenylsulfanyl-1H-imidazole
CID 10241768
1H-Imidazole, 1-(methoxymethyl)-2-(phenylthio)-
CID 11020414
2-(Phenylthio)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-imidazole
CID 11232041
1-Methyl-2-(4-methylphenyl)sulfanylimidazole
CID 11333187
1-Ethoxymethyl-5-methylsulfanyl-2-phenylsulfanyl-1h-imidazole
CID 12840603

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-2-phenylsulfanylimidazole?
The IUPAC name of 4-iodo-1-methyl-2-phenylsulfanylimidazole (CID 102387990) is 4-iodo-1-methyl-2-phenylsulfanylimidazole.
What is the SMILES notation for 4-iodo-1-methyl-2-phenylsulfanylimidazole?
The canonical SMILES for 4-iodo-1-methyl-2-phenylsulfanylimidazole is Cn1cc(I)nc1Sc1ccccc1.
What is the InChIKey of 4-iodo-1-methyl-2-phenylsulfanylimidazole?
The InChIKey is MFPIUZALLZLEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2S/c1-13-7-9(11)12-10(13)14-8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 4-iodo-1-methyl-2-phenylsulfanylimidazole?
4-iodo-1-methyl-2-phenylsulfanylimidazole has a molecular weight of 316.17 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-2-phenylsulfanylimidazole is sourced from PubChem (CID 102387990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).