3-butyl-1,2,4-trimethyl-2H-imidazole

C10H20N2 — CID 57306164

IUPAC3-butyl-1,2,4-trimethyl-2H-imidazole
SMILESCCCCN1C(C)=CN(C)C1C
InChIInChI=1S/C10H20N2/c1-5-6-7-12-9(2)8-11(4)10(12)3/h8,10H,5-7H2,1-4H3
InChIKeyFGPLQZKIMQDRLD-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.24
Rot. Bonds3

About 3-butyl-1,2,4-trimethyl-2H-imidazole

3-butyl-1,2,4-trimethyl-2H-imidazole (PubChem CID 57306164) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-butyl-1,2,4-trimethyl-2H-imidazole.

Molecular Properties

Compound Name3-butyl-1,2,4-trimethyl-2H-imidazole
PubChem CID57306164
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-butyl-1,2,4-trimethyl-2H-imidazole
SMILESCCCCN1C(C)=CN(C)C1C
InChIInChI=1S/C10H20N2/c1-5-6-7-12-9(2)8-11(4)10(12)3/h8,10H,5-7H2,1-4H3
InChIKeyFGPLQZKIMQDRLD-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dimethyl-1-butylimidazole
CID 2782664
1,3,4-trimethyl-2H-imidazole
CID 18407944
1-Allyl-3-butyl imidazole
CID 23154601
1-butyl-2-ethyl-3-methyl-2H-imidazole
CID 17863301
3-ethyl-1,4-dimethyl-2H-imidazole
CID 21869099
1,3-diethyl-4-methyl-2H-imidazole
CID 21869110
1,3,4-triethyl-2-methyl-2H-imidazole
CID 21977213
3,4-diethyl-1-methyl-2H-imidazole
CID 21977214
1-ethyl-2,3,4-trimethyl-2H-imidazole
CID 21977222
1,4-diethyl-3-methyl-2H-imidazole
CID 21977233
1,4-diethyl-2,3-dimethyl-2H-imidazole
CID 21977240
2,4-diethyl-1,3-dimethyl-2H-imidazole
CID 21977248

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2,4-trimethyl-2H-imidazole?
The IUPAC name of 3-butyl-1,2,4-trimethyl-2H-imidazole (CID 57306164) is 3-butyl-1,2,4-trimethyl-2H-imidazole.
What is the SMILES notation for 3-butyl-1,2,4-trimethyl-2H-imidazole?
The canonical SMILES for 3-butyl-1,2,4-trimethyl-2H-imidazole is CCCCN1C(C)=CN(C)C1C.
What is the InChIKey of 3-butyl-1,2,4-trimethyl-2H-imidazole?
The InChIKey is FGPLQZKIMQDRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-7-12-9(2)8-11(4)10(12)3/h8,10H,5-7H2,1-4H3.
What are the key properties of 3-butyl-1,2,4-trimethyl-2H-imidazole?
3-butyl-1,2,4-trimethyl-2H-imidazole has a molecular weight of 168.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2,4-trimethyl-2H-imidazole is sourced from PubChem (CID 57306164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).