1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole

C72H118N22S2 — CID 162015775

IUPAC1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole
SMILESCC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=N1.CC(C)C1=NCN=C1.CC(C)C1=NCN=N1.CC(C)c1cncs1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.CC(C)n1cncn1
InChIInChI=1S/3C7H11N.4C6H10N2.2C6H9NS.3C5H9N3/c1-6(2)7-3-4-8-5-7;2*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;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5/h3,5-6H,4H2,1-2H3;2*3-4,6H,5H2,1-2H3;3,5H,4H2,1-2H3;2*3-6H,1-2H3;3,5H,4H2,1-2H3;4*3-5H,1-2H3;4H,3H2,1-2H3
InChIKeyYUBUYTNELIEMLL-UHFFFAOYSA-N
MW1356.02 g/mol
LogP17.85
Rot. Bonds12

About 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole

1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole (PubChem CID 162015775) has the molecular formula C72H118N22S2 and a molecular weight of 1356.02 g/mol. Its IUPAC name is 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole.

Molecular Properties

Compound Name1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole
PubChem CID162015775
Molecular FormulaC72H118N22S2
Molecular Weight1356.02 g/mol
Exact Mass1354.94
IUPAC Name1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole
SMILESCC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=N1.CC(C)C1=NCN=C1.CC(C)C1=NCN=N1.CC(C)c1cncs1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.CC(C)n1cncn1
InChIInChI=1S/3C7H11N.4C6H10N2.2C6H9NS.3C5H9N3/c1-6(2)7-3-4-8-5-7;2*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;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5/h3,5-6H,4H2,1-2H3;2*3-4,6H,5H2,1-2H3;3,5H,4H2,1-2H3;2*3-6H,1-2H3;3,5H,4H2,1-2H3;4*3-5H,1-2H3;4H,3H2,1-2H3
InChIKeyYUBUYTNELIEMLL-UHFFFAOYSA-N
XLogP17.85
TPSA246.44 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001356.02
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole?
The IUPAC name of 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole (CID 162015775) is 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole.
What is the SMILES notation for 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole?
The canonical SMILES for 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole is CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=N1.CC(C)C1=NCN=C1.CC(C)C1=NCN=N1.CC(C)c1cncs1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.CC(C)n1cncn1.
What is the InChIKey of 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole?
The InChIKey is YUBUYTNELIEMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H11N.4C6H10N2.2C6H9NS.3C5H9N3/c1-6(2)7-3-4-8-5-7;2*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;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5/h3,5-6H,4H2,1-2H3;2*3-4,6H,5H2,1-2H3;3,5H,4H2,1-2H3;2*3-6H,1-2H3;3,5H,4H2,1-2H3;4*3-5H,1-2H3;4H,3H2,1-2H3.
What are the key properties of 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole?
1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole has a molecular weight of 1356.02 g/mol, XLogP of 17.85, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazole;2-propan-2-yl-4H-imidazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(1-propan-2-yl-1,2,4-triazole);5-propan-2-yl-3H-1,2,4-triazole is sourced from PubChem (CID 162015775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).