1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole

C26H40N8OS — CID 158927458

IUPAC1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole
SMILESCc1cncn1C.Cc1nccn1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C6H10N2.2C5H8N2.C5H7NO.C5H7NS/c1-5-6(2)8(3)4-7-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;2*1-4-5(2)7-3-6-4/h4H,1-3H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyJIPVXPWYLBKECD-UHFFFAOYSA-N
MW512.73 g/mol
LogP5.55
Rot. Bonds

About 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole

1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole (PubChem CID 158927458) has the molecular formula C26H40N8OS and a molecular weight of 512.73 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole.

Molecular Properties

Compound Name1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole
PubChem CID158927458
Molecular FormulaC26H40N8OS
Molecular Weight512.73 g/mol
Exact Mass512.30
IUPAC Name1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole
SMILESCc1cncn1C.Cc1nccn1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C6H10N2.2C5H8N2.C5H7NO.C5H7NS/c1-5-6(2)8(3)4-7-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;2*1-4-5(2)7-3-6-4/h4H,1-3H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyJIPVXPWYLBKECD-UHFFFAOYSA-N
XLogP5.55
TPSA92.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.73
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole?
The IUPAC name of 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole (CID 158927458) is 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole.
What is the SMILES notation for 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole?
The canonical SMILES for 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole is Cc1cncn1C.Cc1nccn1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C.
What is the InChIKey of 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole?
The InChIKey is JIPVXPWYLBKECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C5H8N2.C5H7NO.C5H7NS/c1-5-6(2)8(3)4-7-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;2*1-4-5(2)7-3-6-4/h4H,1-3H3;2*3-4H,1-2H3;2*3H,1-2H3.
What are the key properties of 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole?
1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole has a molecular weight of 512.73 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole is sourced from PubChem (CID 158927458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).