1-ethynyl-2-iodo-4-phenylimidazole

C11H7IN2 — CID 119084885

IUPAC1-ethynyl-2-iodo-4-phenylimidazole
SMILESC#Cn1cc(-c2ccccc2)nc1I
InChIInChI=1S/C11H7IN2/c1-2-14-8-10(13-11(14)12)9-6-4-3-5-7-9/h1,3-8H
InChIKeyZBQWPGHKLPPGPZ-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.59
Rot. Bonds1

About 1-ethynyl-2-iodo-4-phenylimidazole

1-ethynyl-2-iodo-4-phenylimidazole (PubChem CID 119084885) has the molecular formula C11H7IN2 and a molecular weight of 294.10 g/mol. Its IUPAC name is 1-ethynyl-2-iodo-4-phenylimidazole.

Molecular Properties

Compound Name1-ethynyl-2-iodo-4-phenylimidazole
PubChem CID119084885
Molecular FormulaC11H7IN2
Molecular Weight294.10 g/mol
Exact Mass293.97
IUPAC Name1-ethynyl-2-iodo-4-phenylimidazole
SMILESC#Cn1cc(-c2ccccc2)nc1I
InChIInChI=1S/C11H7IN2/c1-2-14-8-10(13-11(14)12)9-6-4-3-5-7-9/h1,3-8H
InChIKeyZBQWPGHKLPPGPZ-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101479437
1,2-dichloro-4-phenylimidazole;dioxolane
CID 87208506
8-chloro-6-phenylimidazo[1,5-a]pyrazine
CID 76849768
4-phenyl-1-(2-phenylethyl)imidazol-2-amine
CID 154638135
7-amino-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile;hydrochloride
CID 70096399
1,1'-biphenyl;ethynylphosphane
CID 159292728
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
5-ethynyl-4-phenyl-1H-pyrazol-3-amine
CID 138488812
5-methyl-2-phenylimidazo[1,2-a]pyridine
CID 735395
4-iodo-1-methyl-2-phenylimidazole
CID 86049100
1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite
CID 167444701

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-iodo-4-phenylimidazole?
The IUPAC name of 1-ethynyl-2-iodo-4-phenylimidazole (CID 119084885) is 1-ethynyl-2-iodo-4-phenylimidazole.
What is the SMILES notation for 1-ethynyl-2-iodo-4-phenylimidazole?
The canonical SMILES for 1-ethynyl-2-iodo-4-phenylimidazole is C#Cn1cc(-c2ccccc2)nc1I.
What is the InChIKey of 1-ethynyl-2-iodo-4-phenylimidazole?
The InChIKey is ZBQWPGHKLPPGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IN2/c1-2-14-8-10(13-11(14)12)9-6-4-3-5-7-9/h1,3-8H.
What are the key properties of 1-ethynyl-2-iodo-4-phenylimidazole?
1-ethynyl-2-iodo-4-phenylimidazole has a molecular weight of 294.10 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-iodo-4-phenylimidazole is sourced from PubChem (CID 119084885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).