1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole

C41H69N11O — CID 167610537

IUPAC1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole
SMILESCC(C)c1ncc[nH]1.CC(C)c1nccn1C.Cc1cc[nH]c1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C
InChIInChI=1S/C8H13N.2C7H12N2.C7H11NO.C6H11N3.C6H10N2/c1-6(2)8-7(3)4-5-9-8;1-6(2)7-8-4-5-9(7)3;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)9-6(3)4-7-8-9;1-5(2)6-7-3-4-8-6/h4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8)
InChIKeyKZDMJUMWKQEMEZ-UHFFFAOYSA-N
MW732.08 g/mol
LogP10.64
Rot. Bonds6

About 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole

1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole (PubChem CID 167610537) has the molecular formula C41H69N11O and a molecular weight of 732.08 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole
PubChem CID167610537
Molecular FormulaC41H69N11O
Molecular Weight732.08 g/mol
Exact Mass731.57
IUPAC Name1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole
SMILESCC(C)c1ncc[nH]1.CC(C)c1nccn1C.Cc1cc[nH]c1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C
InChIInChI=1S/C8H13N.2C7H12N2.C7H11NO.C6H11N3.C6H10N2/c1-6(2)8-7(3)4-5-9-8;1-6(2)7-8-4-5-9(7)3;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)9-6(3)4-7-8-9;1-5(2)6-7-3-4-8-6/h4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8)
InChIKeyKZDMJUMWKQEMEZ-UHFFFAOYSA-N
XLogP10.64
TPSA147.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.08
LogP ≤ 510.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole?
The IUPAC name of 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole (CID 167610537) is 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole?
The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole is CC(C)c1ncc[nH]1.CC(C)c1nccn1C.Cc1cc[nH]c1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole?
The InChIKey is KZDMJUMWKQEMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.2C7H12N2.C7H11NO.C6H11N3.C6H10N2/c1-6(2)8-7(3)4-5-9-8;1-6(2)7-8-4-5-9(7)3;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)9-6(3)4-7-8-9;1-5(2)6-7-3-4-8-6/h4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole?
1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole has a molecular weight of 732.08 g/mol, XLogP of 10.64, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;3-methyl-2-propan-2-yl-1H-pyrrole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 167610537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).