1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid

C95H81F10Ir7N16O2-7 — CID 160542549

IUPAC1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid
SMILESCN1CCN=C1c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1cc[c-]c(C2=NCCN2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1=NCCN1Cc1ccccc1.[c-]1ccccc1C1=NCCN1c1ccccc1
InChIInChI=1S/C16H15N2.C15H9F2N2.C15H13N2.C12H9F6N2.C11H10N3.C10H9F2N2.C10H11N2.C6H5NO2.7Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-20-3-2-19-10(20)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-12-8-7-11-10(12)9-5-3-2-4-6-9;8-6(9)5-3-1-2-4-7-5;;;;;;;/h1-9H,11-13H2;1-6,8-10H;1-7,9-10H,11-12H2;4,6H,2-3H2,1H3;3,5,8H,6-7H2,2H3;2,6H,4-5H2,1H3;2-5H,7-8H2,1H3;1-4H,(H,8,9);;;;;;;/q7*-1;;;;;;;;
InChIKeyKWEVSPMUTBNDIF-UHFFFAOYSA-N
MW3014.30 g/mol
LogP17.46
Rot. Bonds12

About 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid

1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid (PubChem CID 160542549) has the molecular formula C95H81F10Ir7N16O2-7 and a molecular weight of 3014.30 g/mol. Its IUPAC name is 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid
PubChem CID160542549
Molecular FormulaC95H81F10Ir7N16O2-7
Molecular Weight3014.30 g/mol
Exact Mass3018.40
IUPAC Name1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid
SMILESCN1CCN=C1c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1cc[c-]c(C2=NCCN2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1=NCCN1Cc1ccccc1.[c-]1ccccc1C1=NCCN1c1ccccc1
InChIInChI=1S/C16H15N2.C15H9F2N2.C15H13N2.C12H9F6N2.C11H10N3.C10H9F2N2.C10H11N2.C6H5NO2.7Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-20-3-2-19-10(20)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-12-8-7-11-10(12)9-5-3-2-4-6-9;8-6(9)5-3-1-2-4-7-5;;;;;;;/h1-9H,11-13H2;1-6,8-10H;1-7,9-10H,11-12H2;4,6H,2-3H2,1H3;3,5,8H,6-7H2,2H3;2,6H,4-5H2,1H3;2-5H,7-8H2,1H3;1-4H,(H,8,9);;;;;;;/q7*-1;;;;;;;;
InChIKeyKWEVSPMUTBNDIF-UHFFFAOYSA-N
XLogP17.46
TPSA165.97 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003014.30
LogP ≤ 517.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid with MolForge

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Related Compounds

12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 58162490
4-(2,6-Dimethylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426398
3-(1,1-Difluoropropyl)-4-phenyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426401
3-[Cyclohexyl(difluoro)methyl]-4-phenyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426409
3-(1,1-Difluoro-2-methylpropyl)-4-phenyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426432
Iridium;4-phenyl-3-phenyl-5-(1,1,2,2-tetrafluoropropyl)-1,2,4-triazole;pyridine-2-carboxylic acid
CID 58426433
3-(1,1-Difluoropentyl)-4-phenyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426445
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluorononyl)-4-phenyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426446
3-(1,1-Difluoroethyl)-4-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426448
3-(1,1-Difluoroethyl)-4-phenyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426463
6-[[5-[(3aR,6aS)-2-[2-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazin-2-yl]methyl]-2-[(3aR,6aS)-2-[2-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrimidine-4-carboxylic acid
CID 155148575
1-Benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;bis(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid
CID 157345115

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid?
The IUPAC name of 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid (CID 160542549) is 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid?
The canonical SMILES for 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid is CN1CCN=C1c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1cc[c-]c(C2=NCCN2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1=NCCN1Cc1ccccc1.[c-]1ccccc1C1=NCCN1c1ccccc1.
What is the InChIKey of 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid?
The InChIKey is KWEVSPMUTBNDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2.C15H9F2N2.C15H13N2.C12H9F6N2.C11H10N3.C10H9F2N2.C10H11N2.C6H5NO2.7Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-20-3-2-19-10(20)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-12-8-7-11-10(12)9-5-3-2-4-6-9;8-6(9)5-3-1-2-4-7-5;;;;;;;/h1-9H,11-13H2;1-6,8-10H;1-7,9-10H,11-12H2;4,6H,2-3H2,1H3;3,5,8H,6-7H2,2H3;2,6H,4-5H2,1H3;2-5H,7-8H2,1H3;1-4H,(H,8,9);;;;;;;/q7*-1;;;;;;;;.
What are the key properties of 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid?
1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid has a molecular weight of 3014.30 g/mol, XLogP of 17.46, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-phenyl-2-phenyl-4,5-dihydroimidazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 160542549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).