5-fluoro-1-methyl-2-phenylimidazole;iridium

C10H8FIrN2- — CID 58769456

IUPAC5-fluoro-1-methyl-2-phenylimidazole;iridium
SMILESCn1c(F)cnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C10H8FN2.Ir/c1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;/h2-5,7H,1H3;/q-1;
InChIKeyKOLIQDUJVUKCNU-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.02
Rot. Bonds1

About 5-fluoro-1-methyl-2-phenylimidazole;iridium

5-fluoro-1-methyl-2-phenylimidazole;iridium (PubChem CID 58769456) has the molecular formula C10H8FIrN2- and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-phenylimidazole;iridium.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-phenylimidazole;iridium
PubChem CID58769456
Molecular FormulaC10H8FIrN2-
Molecular Weight367.40 g/mol
Exact Mass368.03
IUPAC Name5-fluoro-1-methyl-2-phenylimidazole;iridium
SMILESCn1c(F)cnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C10H8FN2.Ir/c1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;/h2-5,7H,1H3;/q-1;
InChIKeyKOLIQDUJVUKCNU-UHFFFAOYSA-N
XLogP2.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
4-fluoro-2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1-methylimidazole
CID 176566453
7-ethenyl-5H-pyrrolo[1,2-a]imidazole
CID 91332711
5-(1-methylimidazol-2-yl)-2H-benzimidazole
CID 134947084
2-[2,4-Difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
CID 102401857
5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 126787608
2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole
CID 142149368
7-Methyl-5,6-dihydroimidazo[1,2-a]pyridine
CID 21040101
6,8,11-Triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene
CID 23323560
2-(Cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole
CID 25165781
5,8-Methanoimidazo[1,2-A]pyridine
CID 45087413

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-phenylimidazole;iridium?
The IUPAC name of 5-fluoro-1-methyl-2-phenylimidazole;iridium (CID 58769456) is 5-fluoro-1-methyl-2-phenylimidazole;iridium.
What is the SMILES notation for 5-fluoro-1-methyl-2-phenylimidazole;iridium?
The canonical SMILES for 5-fluoro-1-methyl-2-phenylimidazole;iridium is Cn1c(F)cnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of 5-fluoro-1-methyl-2-phenylimidazole;iridium?
The InChIKey is KOLIQDUJVUKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN2.Ir/c1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;/h2-5,7H,1H3;/q-1;.
What are the key properties of 5-fluoro-1-methyl-2-phenylimidazole;iridium?
5-fluoro-1-methyl-2-phenylimidazole;iridium has a molecular weight of 367.40 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-2-phenylimidazole;iridium is sourced from PubChem (CID 58769456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).