1,2,4-trimethyl-5-propan-2-ylimidazole

C9H16N2 — CID 59396117

IUPAC1,2,4-trimethyl-5-propan-2-ylimidazole
SMILESCc1nc(C)n(C)c1C(C)C
InChIInChI=1S/C9H16N2/c1-6(2)9-7(3)10-8(4)11(9)5/h6H,1-5H3
InChIKeyTUZBSGCQZTZQJG-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.16
Rot. Bonds1

About 1,2,4-trimethyl-5-propan-2-ylimidazole

1,2,4-trimethyl-5-propan-2-ylimidazole (PubChem CID 59396117) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-propan-2-ylimidazole.

Molecular Properties

Compound Name1,2,4-trimethyl-5-propan-2-ylimidazole
PubChem CID59396117
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,2,4-trimethyl-5-propan-2-ylimidazole
SMILESCc1nc(C)n(C)c1C(C)C
InChIInChI=1S/C9H16N2/c1-6(2)9-7(3)10-8(4)11(9)5/h6H,1-5H3
InChIKeyTUZBSGCQZTZQJG-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9920468
3-Ethyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9942237
1-tert-Butyl-4-(propan-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 14735431
2,5-dimethyl-4-propan-2-yl-1H-imidazole
CID 15724089
1-Methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
CID 22891093
4-Fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole
CID 22891110
1-(2-Fluoroethyl)-4,5-di(propan-2-yl)imidazole
CID 117879864
2-Methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole
CID 146185981
5-Tert-butyl-4-fluoro-1,2-dimethylimidazole
CID 146376815
5-Tert-butyl-2-fluoro-1,4-dimethylimidazole
CID 146377519
4-Tert-butyl-2-fluoro-1,5-dimethylimidazole
CID 146377885
3-Propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 149212143

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-propan-2-ylimidazole?
The IUPAC name of 1,2,4-trimethyl-5-propan-2-ylimidazole (CID 59396117) is 1,2,4-trimethyl-5-propan-2-ylimidazole.
What is the SMILES notation for 1,2,4-trimethyl-5-propan-2-ylimidazole?
The canonical SMILES for 1,2,4-trimethyl-5-propan-2-ylimidazole is Cc1nc(C)n(C)c1C(C)C.
What is the InChIKey of 1,2,4-trimethyl-5-propan-2-ylimidazole?
The InChIKey is TUZBSGCQZTZQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)9-7(3)10-8(4)11(9)5/h6H,1-5H3.
What are the key properties of 1,2,4-trimethyl-5-propan-2-ylimidazole?
1,2,4-trimethyl-5-propan-2-ylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-propan-2-ylimidazole is sourced from PubChem (CID 59396117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).