4-iodo-1-methyl-2-phenylimidazole

C10H9IN2 — CID 86049100

IUPAC4-iodo-1-methyl-2-phenylimidazole
SMILESCn1cc(I)nc1-c1ccccc1
InChIInChI=1S/C10H9IN2/c1-13-7-9(11)12-10(13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyYHDRMQRIQRTPSW-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.69
Rot. Bonds1

About 4-iodo-1-methyl-2-phenylimidazole

4-iodo-1-methyl-2-phenylimidazole (PubChem CID 86049100) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 4-iodo-1-methyl-2-phenylimidazole.

Molecular Properties

Compound Name4-iodo-1-methyl-2-phenylimidazole
PubChem CID86049100
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name4-iodo-1-methyl-2-phenylimidazole
SMILESCn1cc(I)nc1-c1ccccc1
InChIInChI=1S/C10H9IN2/c1-13-7-9(11)12-10(13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyYHDRMQRIQRTPSW-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.69
H-Bond Donors ≤ 50
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 4-iodo-1-methyl-2-phenylimidazole?
The IUPAC name of 4-iodo-1-methyl-2-phenylimidazole (CID 86049100) is 4-iodo-1-methyl-2-phenylimidazole.
What is the SMILES notation for 4-iodo-1-methyl-2-phenylimidazole?
The canonical SMILES for 4-iodo-1-methyl-2-phenylimidazole is Cn1cc(I)nc1-c1ccccc1.
What is the InChIKey of 4-iodo-1-methyl-2-phenylimidazole?
The InChIKey is YHDRMQRIQRTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2/c1-13-7-9(11)12-10(13)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 4-iodo-1-methyl-2-phenylimidazole?
4-iodo-1-methyl-2-phenylimidazole has a molecular weight of 284.10 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-2-phenylimidazole is sourced from PubChem (CID 86049100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).