2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium

C10H8FIrN2- — CID 58769475

IUPAC2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium
SMILESCn1ccnc1-c1[c-]cc(F)cc1.[Ir]
InChIInChI=1S/C10H8FN2.Ir/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8;/h2,4-7H,1H3;/q-1;
InChIKeyRXJAXLZSZBMPPQ-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.02
Rot. Bonds1

About 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium

2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium (PubChem CID 58769475) has the molecular formula C10H8FIrN2- and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium.

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium
PubChem CID58769475
Molecular FormulaC10H8FIrN2-
Molecular Weight367.40 g/mol
Exact Mass368.03
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium
SMILESCn1ccnc1-c1[c-]cc(F)cc1.[Ir]
InChIInChI=1S/C10H8FN2.Ir/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8;/h2,4-7H,1H3;/q-1;
InChIKeyRXJAXLZSZBMPPQ-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

1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
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
Iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
CID 59005808
2-[7-Chloro-2-methyl-5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1-methylimidazole
CID 124013375
2-Methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole
CID 134600372
1-[1-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
CID 143030218
1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
CID 143030220
2-[(3E)-4-fluoro-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-1-methylimidazole
CID 143913734
2-[(E)-1-fluoro-3-methylidenepent-1-enyl]-1,4-dimethylimidazole
CID 172305812
2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole
CID 176566010
4-fluoro-2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1-methylimidazole
CID 176566453

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium (CID 58769475) is 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium.
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium is Cn1ccnc1-c1[c-]cc(F)cc1.[Ir].
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium?
The InChIKey is RXJAXLZSZBMPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN2.Ir/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8;/h2,4-7H,1H3;/q-1;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium?
2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;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 2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium is sourced from PubChem (CID 58769475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).