1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole

C32H56N8 — CID 158212671

IUPAC1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1ccn(C(C)C)n1.CCc1cc(C(C)C)n[nH]1.Cc1nc(C(C)C)cn1C.Cc1ncc(C(C)C)[nH]1
InChIInChI=1S/C9H16N2.2C8H14N2.C7H12N2/c1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10(4)7(3)9-8;1-4-7-5-8(6(2)3)10-9-7;1-5(2)7-4-8-6(3)9-7/h5-8H,1-4H3;5-6H,1-4H3;5-6H,4H2,1-3H3,(H,9,10);4-5H,1-3H3,(H,8,9)
InChIKeyGCGOTZVBVNLYPF-UHFFFAOYSA-N
MW552.86 g/mol
LogP8.38
Rot. Bonds6

About 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole

1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole (PubChem CID 158212671) has the molecular formula C32H56N8 and a molecular weight of 552.86 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole
PubChem CID158212671
Molecular FormulaC32H56N8
Molecular Weight552.86 g/mol
Exact Mass552.46
IUPAC Name1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1ccn(C(C)C)n1.CCc1cc(C(C)C)n[nH]1.Cc1nc(C(C)C)cn1C.Cc1ncc(C(C)C)[nH]1
InChIInChI=1S/C9H16N2.2C8H14N2.C7H12N2/c1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10(4)7(3)9-8;1-4-7-5-8(6(2)3)10-9-7;1-5(2)7-4-8-6(3)9-7/h5-8H,1-4H3;5-6H,1-4H3;5-6H,4H2,1-3H3,(H,9,10);4-5H,1-3H3,(H,8,9)
InChIKeyGCGOTZVBVNLYPF-UHFFFAOYSA-N
XLogP8.38
TPSA93.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.86
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole (CID 158212671) is 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole is CC(C)c1ccn(C(C)C)n1.CCc1cc(C(C)C)n[nH]1.Cc1nc(C(C)C)cn1C.Cc1ncc(C(C)C)[nH]1.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole?
The InChIKey is GCGOTZVBVNLYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C8H14N2.C7H12N2/c1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10(4)7(3)9-8;1-4-7-5-8(6(2)3)10-9-7;1-5(2)7-4-8-6(3)9-7/h5-8H,1-4H3;5-6H,1-4H3;5-6H,4H2,1-3H3,(H,9,10);4-5H,1-3H3,(H,8,9).
What are the key properties of 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole?
1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole has a molecular weight of 552.86 g/mol, XLogP of 8.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylimidazole;1,3-di(propan-2-yl)pyrazole;5-ethyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 158212671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).