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

C16H19IrN2- — CID 58162897

IUPAC1-cyclohexyl-5-methyl-2-phenylimidazole;iridium
SMILESCc1cnc(-c2[c-]cccc2)n1C1CCCCC1.[Ir]
InChIInChI=1S/C16H19N2.Ir/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;/q-1;
InChIKeyQMJPBJNZJCPRGH-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.16
Rot. Bonds2

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

1-cyclohexyl-5-methyl-2-phenylimidazole;iridium (PubChem CID 58162897) has the molecular formula C16H19IrN2- and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium.

Molecular Properties

Compound Name1-cyclohexyl-5-methyl-2-phenylimidazole;iridium
PubChem CID58162897
Molecular FormulaC16H19IrN2-
Molecular Weight431.56 g/mol
Exact Mass432.12
IUPAC Name1-cyclohexyl-5-methyl-2-phenylimidazole;iridium
SMILESCc1cnc(-c2[c-]cccc2)n1C1CCCCC1.[Ir]
InChIInChI=1S/C16H19N2.Ir/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;/q-1;
InChIKeyQMJPBJNZJCPRGH-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.16
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

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CID 58426457
3-cyclohexyl-4-phenyl-5-phenyl-1,2,4-triazole;iridium
CID 58240240
iridium;5-methoxy-1-methyl-2-phenylimidazole
CID 58769486
3-(5-methyl-2-phenylimidazol-1-yl)piperidine
CID 90488061
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-4,5-diol;iridium;4-methyl-1-phenylisoquinoline
CID 170527732
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol;iridium;5-methyl-3-phenylisoquinoline
CID 170527703
3-[3-(4-cyclohexylphenyl)benzene-6-id-1-yl]isoquinoline;iridium;1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole
CID 170539613
bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)
CID 59661679
5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)
CID 158879404
(2R,9S)-2,9-dimethyl-1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol;iridium;5-phenyl-2-phenylpyridine
CID 170527502
iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 140582460
1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium
CID 58175683

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium?
The IUPAC name of 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium (CID 58162897) is 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium.
What is the SMILES notation for 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium?
The canonical SMILES for 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium is Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.[Ir].
What is the InChIKey of 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium?
The InChIKey is QMJPBJNZJCPRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2.Ir/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;/h2,4-5,8,12,15H,3,6-7,10-11H2,1H3;/q-1;.
What are the key properties of 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium?
1-cyclohexyl-5-methyl-2-phenylimidazole;iridium has a molecular weight of 431.56 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methyl-2-phenylimidazole;iridium is sourced from PubChem (CID 58162897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).