1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole

C49H72F12N14 — CID 160840771

IUPAC1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole
SMILESCC(C)c1cnc(C(C)C)n1C.Cc1cnc(C(C)C)n1C.Cc1cnc(C(F)(F)F)n1C.Cc1cnc(C)n1C.Cc1nc(C)n(C)c1C.Cc1ncc(C(F)(F)F)n1C.Cn1c(C(F)(F)F)cnc1C(F)(F)F
InChIInChI=1S/C10H18N2.C8H14N2.C7H12N2.C6H4F6N2.2C6H7F3N2.C6H10N2/c1-7(2)9-6-11-10(8(3)4)12(9)5;1-6(2)8-9-5-7(3)10(8)4;1-5-6(2)9(4)7(3)8-5;1-14-3(5(7,8)9)2-13-4(14)6(10,11)12;1-4-10-3-5(11(4)2)6(7,8)9;1-4-3-10-5(11(4)2)6(7,8)9;1-5-4-7-6(2)8(5)3/h6-8H,1-5H3;5-6H,1-4H3;1-4H3;2H,1H3;2*3H,1-2H3;4H,1-3H3
InChIKeySHZOKZOXJRXTLY-UHFFFAOYSA-N
MW1085.19 g/mol
LogP12.85
Rot. Bonds3

About 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole

1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole (PubChem CID 160840771) has the molecular formula C49H72F12N14 and a molecular weight of 1085.19 g/mol. Its IUPAC name is 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole
PubChem CID160840771
Molecular FormulaC49H72F12N14
Molecular Weight1085.19 g/mol
Exact Mass1084.59
IUPAC Name1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole
SMILESCC(C)c1cnc(C(C)C)n1C.Cc1cnc(C(C)C)n1C.Cc1cnc(C(F)(F)F)n1C.Cc1cnc(C)n1C.Cc1nc(C)n(C)c1C.Cc1ncc(C(F)(F)F)n1C.Cn1c(C(F)(F)F)cnc1C(F)(F)F
InChIInChI=1S/C10H18N2.C8H14N2.C7H12N2.C6H4F6N2.2C6H7F3N2.C6H10N2/c1-7(2)9-6-11-10(8(3)4)12(9)5;1-6(2)8-9-5-7(3)10(8)4;1-5-6(2)9(4)7(3)8-5;1-14-3(5(7,8)9)2-13-4(14)6(10,11)12;1-4-10-3-5(11(4)2)6(7,8)9;1-4-3-10-5(11(4)2)6(7,8)9;1-5-4-7-6(2)8(5)3/h6-8H,1-5H3;5-6H,1-4H3;1-4H3;2H,1H3;2*3H,1-2H3;4H,1-3H3
InChIKeySHZOKZOXJRXTLY-UHFFFAOYSA-N
XLogP12.85
TPSA124.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.19
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole?
The IUPAC name of 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole (CID 160840771) is 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole.
What is the SMILES notation for 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole?
The canonical SMILES for 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole is CC(C)c1cnc(C(C)C)n1C.Cc1cnc(C(C)C)n1C.Cc1cnc(C(F)(F)F)n1C.Cc1cnc(C)n1C.Cc1nc(C)n(C)c1C.Cc1ncc(C(F)(F)F)n1C.Cn1c(C(F)(F)F)cnc1C(F)(F)F.
What is the InChIKey of 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole?
The InChIKey is SHZOKZOXJRXTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C8H14N2.C7H12N2.C6H4F6N2.2C6H7F3N2.C6H10N2/c1-7(2)9-6-11-10(8(3)4)12(9)5;1-6(2)8-9-5-7(3)10(8)4;1-5-6(2)9(4)7(3)8-5;1-14-3(5(7,8)9)2-13-4(14)6(10,11)12;1-4-10-3-5(11(4)2)6(7,8)9;1-4-3-10-5(11(4)2)6(7,8)9;1-5-4-7-6(2)8(5)3/h6-8H,1-5H3;5-6H,1-4H3;1-4H3;2H,1H3;2*3H,1-2H3;4H,1-3H3.
What are the key properties of 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole?
1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole has a molecular weight of 1085.19 g/mol, XLogP of 12.85, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole is sourced from PubChem (CID 160840771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).