2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole

C12H7F2IN2 — CID 71034720

IUPAC2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2I)CC=C3)c(F)c1
InChIInChI=1S/C12H7F2IN2/c13-7-3-4-8(9(14)6-7)11-12(15)17-5-1-2-10(17)16-11/h1-4,6H,5H2
InChIKeyJFDYALYAIARWFL-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.46
Rot. Bonds1

About 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole

2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole (PubChem CID 71034720) has the molecular formula C12H7F2IN2 and a molecular weight of 344.10 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole
PubChem CID71034720
Molecular FormulaC12H7F2IN2
Molecular Weight344.10 g/mol
Exact Mass343.96
IUPAC Name2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2I)CC=C3)c(F)c1
InChIInChI=1S/C12H7F2IN2/c13-7-3-4-8(9(14)6-7)11-12(15)17-5-1-2-10(17)16-11/h1-4,6H,5H2
InChIKeyJFDYALYAIARWFL-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 53.46
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

4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine
CID 141076952
2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
1-(2,4-difluorophenyl)phthalazine
CID 175330738
5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943629
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 17457742
2,5-dichloro-4-(2,4-difluorophenyl)pyrimidine
CID 171627408
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
5-(2,4-difluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62224859
4-(2,4-difluorophenyl)-2,6-diphenylpyridine
CID 102527083
4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 62076324
3-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 69179309

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole (CID 71034720) is 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole is Fc1ccc(-c2nc3n(c2I)CC=C3)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is JFDYALYAIARWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2IN2/c13-7-3-4-8(9(14)6-7)11-12(15)17-5-1-2-10(17)16-11/h1-4,6H,5H2.
What are the key properties of 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole?
2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 344.10 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 71034720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).