2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole

C111H196N10O2 — CID 163982539

IUPAC2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole
SMILESCc1c(C(C)(C)C)cc(C(C)(C)C)c(=O)n1C.Cc1c(C(C)(C)C)cc(C(C)(C)C)n1C.Cc1c(C(C)(C)C)cn(C)c(=O)c1C(C)(C)C.Cc1c(C(C)(C)C)cn(C)c1C(C)(C)C.Cc1c(C(C)(C)C)nn(C)c1C(C)(C)C.Cc1cc(C(C)(C)C)n(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)n(C)c1C(C)(C)C.Cn1c(C(C)(C)C)ccc1C(C)(C)C
InChIInChI=1S/2C15H25NO.3C14H25N.2C13H24N2.C13H23N/c1-10-11(14(2,3)4)9-16(8)13(17)12(10)15(5,6)7;1-10-11(14(2,3)4)9-12(15(5,6)7)13(17)16(10)8;1-10-11(13(2,3)4)9-15(8)12(10)14(5,6)7;1-10-11(13(2,3)4)9-12(15(10)8)14(5,6)7;1-10-9-11(13(2,3)4)15(8)12(10)14(5,6)7;1-9-10(12(2,3)4)15(8)11(14-9)13(5,6)7;1-9-10(12(2,3)4)14-15(8)11(9)13(5,6)7;1-12(2,3)10-8-9-11(14(10)7)13(4,5)6/h2*9H,1-8H3;3*9H,1-8H3;2*1-8H3;8-9H,1-7H3
InChIKeySZRBOWJWBDKTPL-UHFFFAOYSA-N
MW1702.86 g/mol
LogP28.63
Rot. Bonds

About 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole

2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole (PubChem CID 163982539) has the molecular formula C111H196N10O2 and a molecular weight of 1702.86 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole.

Molecular Properties

Compound Name2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole
PubChem CID163982539
Molecular FormulaC111H196N10O2
Molecular Weight1702.86 g/mol
Exact Mass1701.55
IUPAC Name2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole
SMILESCc1c(C(C)(C)C)cc(C(C)(C)C)c(=O)n1C.Cc1c(C(C)(C)C)cc(C(C)(C)C)n1C.Cc1c(C(C)(C)C)cn(C)c(=O)c1C(C)(C)C.Cc1c(C(C)(C)C)cn(C)c1C(C)(C)C.Cc1c(C(C)(C)C)nn(C)c1C(C)(C)C.Cc1cc(C(C)(C)C)n(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)n(C)c1C(C)(C)C.Cn1c(C(C)(C)C)ccc1C(C)(C)C
InChIInChI=1S/2C15H25NO.3C14H25N.2C13H24N2.C13H23N/c1-10-11(14(2,3)4)9-16(8)13(17)12(10)15(5,6)7;1-10-11(14(2,3)4)9-12(15(5,6)7)13(17)16(10)8;1-10-11(13(2,3)4)9-15(8)12(10)14(5,6)7;1-10-11(13(2,3)4)9-12(15(10)8)14(5,6)7;1-10-9-11(13(2,3)4)15(8)12(10)14(5,6)7;1-9-10(12(2,3)4)15(8)11(14-9)13(5,6)7;1-9-10(12(2,3)4)14-15(8)11(9)13(5,6)7;1-12(2,3)10-8-9-11(14(10)7)13(4,5)6/h2*9H,1-8H3;3*9H,1-8H3;2*1-8H3;8-9H,1-7H3
InChIKeySZRBOWJWBDKTPL-UHFFFAOYSA-N
XLogP28.63
TPSA99.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.86
LogP ≤ 528.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole?
The IUPAC name of 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole (CID 163982539) is 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole.
What is the SMILES notation for 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole?
The canonical SMILES for 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole is Cc1c(C(C)(C)C)cc(C(C)(C)C)c(=O)n1C.Cc1c(C(C)(C)C)cc(C(C)(C)C)n1C.Cc1c(C(C)(C)C)cn(C)c(=O)c1C(C)(C)C.Cc1c(C(C)(C)C)cn(C)c1C(C)(C)C.Cc1c(C(C)(C)C)nn(C)c1C(C)(C)C.Cc1cc(C(C)(C)C)n(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)n(C)c1C(C)(C)C.Cn1c(C(C)(C)C)ccc1C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole?
The InChIKey is SZRBOWJWBDKTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H25NO.3C14H25N.2C13H24N2.C13H23N/c1-10-11(14(2,3)4)9-16(8)13(17)12(10)15(5,6)7;1-10-11(14(2,3)4)9-12(15(5,6)7)13(17)16(10)8;1-10-11(13(2,3)4)9-15(8)12(10)14(5,6)7;1-10-11(13(2,3)4)9-12(15(10)8)14(5,6)7;1-10-9-11(13(2,3)4)15(8)12(10)14(5,6)7;1-9-10(12(2,3)4)15(8)11(14-9)13(5,6)7;1-9-10(12(2,3)4)14-15(8)11(9)13(5,6)7;1-12(2,3)10-8-9-11(14(10)7)13(4,5)6/h2*9H,1-8H3;3*9H,1-8H3;2*1-8H3;8-9H,1-7H3.
What are the key properties of 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole?
2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole has a molecular weight of 1702.86 g/mol, XLogP of 28.63, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1,4-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyridin-2-one;3,5-ditert-butyl-1,6-dimethylpyridin-2-one;2,4-ditert-butyl-1,3-dimethylpyrrole;2,5-ditert-butyl-1,3-dimethylpyrrole;3,5-ditert-butyl-1,2-dimethylpyrrole;2,5-ditert-butyl-1-methylpyrrole is sourced from PubChem (CID 163982539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).