1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C104H165N17O2S2 — CID 159244169

IUPAC1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn(C)cn1.CC(C)c1cnc[nH]1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)n1cccc1.CC(C)n1ccnc1
InChIInChI=1S/2C8H13N.3C7H12N2.3C7H11N.2C7H10O.2C7H10S.3C6H10N2/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;3*4-6H,1-3H3;3-6,8H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyKULVHHMTVOTKJP-UHFFFAOYSA-N
MW1749.71 g/mol
LogP30.35
Rot. Bonds15

About 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 159244169) has the molecular formula C104H165N17O2S2 and a molecular weight of 1749.71 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID159244169
Molecular FormulaC104H165N17O2S2
Molecular Weight1749.71 g/mol
Exact Mass1748.28
IUPAC Name1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn(C)cn1.CC(C)c1cnc[nH]1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)n1cccc1.CC(C)n1ccnc1
InChIInChI=1S/2C8H13N.3C7H12N2.3C7H11N.2C7H10O.2C7H10S.3C6H10N2/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;3*4-6H,1-3H3;3-6,8H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyKULVHHMTVOTKJP-UHFFFAOYSA-N
XLogP30.35
TPSA201.29 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001749.71
LogP ≤ 530.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 159244169) is 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn(C)cn1.CC(C)c1cnc[nH]1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)n1cccc1.CC(C)n1ccnc1.
What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is KULVHHMTVOTKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.3C7H12N2.3C7H11N.2C7H10O.2C7H10S.3C6H10N2/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;3*4-6H,1-3H3;3-6,8H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 1749.71 g/mol, XLogP of 30.35, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 159244169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).