2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole

C81H98F4N12O2 — CID 159914966

IUPAC2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole
SMILESCC(C)c1ccc(-n2cnc(C(F)(F)F)c2)cc1.COc1cc(C(C)C)ccc1-n1ccnc1.COc1cc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)cc2)c(C)n1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1ncn(-c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C14H18N2O.2C14H18N2.C13H13F3N2.C13H15FN2.C13H16N2O/c1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)15-9-16;1-10(2)13-5-7-14(8-6-13)16-9-15-11(3)12(16)4;1-10(2)13-5-7-14(8-6-13)16-9-11(3)15-12(16)4;1-9(2)10-3-5-11(6-4-10)18-7-12(17-8-18)13(14,15)16;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15/h5-10H,1-4H3;2*5-10H,1-4H3;3-9H,1-2H3;4-9H,1-3H3;4-10H,1-3H3
InChIKeyNXQUFDKJHLVECB-UHFFFAOYSA-N
MW1347.75 g/mol
LogP21.00
Rot. Bonds14

About 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole

2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 159914966) has the molecular formula C81H98F4N12O2 and a molecular weight of 1347.75 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID159914966
Molecular FormulaC81H98F4N12O2
Molecular Weight1347.75 g/mol
Exact Mass1346.79
IUPAC Name2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole
SMILESCC(C)c1ccc(-n2cnc(C(F)(F)F)c2)cc1.COc1cc(C(C)C)ccc1-n1ccnc1.COc1cc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)cc2)c(C)n1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1ncn(-c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C14H18N2O.2C14H18N2.C13H13F3N2.C13H15FN2.C13H16N2O/c1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)15-9-16;1-10(2)13-5-7-14(8-6-13)16-9-15-11(3)12(16)4;1-10(2)13-5-7-14(8-6-13)16-9-11(3)15-12(16)4;1-9(2)10-3-5-11(6-4-10)18-7-12(17-8-18)13(14,15)16;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15/h5-10H,1-4H3;2*5-10H,1-4H3;3-9H,1-2H3;4-9H,1-3H3;4-10H,1-3H3
InChIKeyNXQUFDKJHLVECB-UHFFFAOYSA-N
XLogP21.00
TPSA125.38 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.75
LogP ≤ 521.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole with MolForge

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Related Compounds

4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-(oxolan-2-ylmethyl)imidazole
CID 24851860
4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole
CID 24852096
1-[(4-fluorophenyl)methyl]-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4,5-dimethylimidazole
CID 24852673
3-[1-(4-fluorophenyl)ethyl]-5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,2,4-triazole
CID 24852783
5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
CID 25144853
5-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
CID 25144854
5-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4-(3-methylbutyl)-1,2,4-oxadiazole
CID 25145267
5-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4-(2-methylbutyl)-1,2,4-oxadiazole
CID 25145268
5-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
CID 25145405
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 25145552
1-[(4-Fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 42635823
(8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 46198646

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole (CID 159914966) is 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole is CC(C)c1ccc(-n2cnc(C(F)(F)F)c2)cc1.COc1cc(C(C)C)ccc1-n1ccnc1.COc1cc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)cc2)c(C)n1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1ncn(-c2ccc(C(C)C)cc2)c1C.
What is the InChIKey of 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is NXQUFDKJHLVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.2C14H18N2.C13H13F3N2.C13H15FN2.C13H16N2O/c1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)15-9-16;1-10(2)13-5-7-14(8-6-13)16-9-15-11(3)12(16)4;1-10(2)13-5-7-14(8-6-13)16-9-11(3)15-12(16)4;1-9(2)10-3-5-11(6-4-10)18-7-12(17-8-18)13(14,15)16;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15/h5-10H,1-4H3;2*5-10H,1-4H3;3-9H,1-2H3;4-9H,1-3H3;4-10H,1-3H3.
What are the key properties of 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole?
2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 1347.75 g/mol, XLogP of 21.00, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 159914966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).