4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole

C14H28N2 — CID 142041824

IUPAC4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole
SMILESCCC(C)C1=CN(C)CN1C(CC)C(C)C
InChIInChI=1S/C14H28N2/c1-7-12(5)14-9-15(6)10-16(14)13(8-2)11(3)4/h9,11-13H,7-8,10H2,1-6H3
InChIKeyYUTNGUXAWUFBPC-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.51
Rot. Bonds5

About 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole

4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole (PubChem CID 142041824) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole.

Molecular Properties

Compound Name4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole
PubChem CID142041824
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole
SMILESCCC(C)C1=CN(C)CN1C(CC)C(C)C
InChIInChI=1S/C14H28N2/c1-7-12(5)14-9-15(6)10-16(14)13(8-2)11(3)4/h9,11-13H,7-8,10H2,1-6H3
InChIKeyYUTNGUXAWUFBPC-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1,4-di(propan-2-yl)-2H-imidazole
CID 129075231
3,4-dibutyl-1-propan-2-yl-2H-imidazole
CID 141499001
4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane
CID 142041823
N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine
CID 146326665
1,2,3-trimethyl-4-propan-2-yl-2H-imidazole
CID 146392600
3-butyl-1-ethyl-4-propyl-2H-imidazole
CID 160688456
2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole
CID 161202585
1,3,4-Tri(propan-2-yl)-2-propan-2-ylideneimidazole
CID 167015966
4-cyclobutyl-1,3-dimethyl-2H-imidazole
CID 167104118
1-cyclobutyl-3-methyl-4-propan-2-yl-2H-imidazole
CID 167199401
3-methyl-1,4-di(propan-2-yl)-2H-imidazole
CID 167199402
1-N,1-N'-dimethyl-1-N'-(4-methylpent-1-en-2-yl)-1-N-propan-2-ylethene-1,1-diamine
CID 169678206

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole?
The IUPAC name of 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole (CID 142041824) is 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole.
What is the SMILES notation for 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole?
The canonical SMILES for 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole is CCC(C)C1=CN(C)CN1C(CC)C(C)C.
What is the InChIKey of 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole?
The InChIKey is YUTNGUXAWUFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-12(5)14-9-15(6)10-16(14)13(8-2)11(3)4/h9,11-13H,7-8,10H2,1-6H3.
What are the key properties of 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole?
4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole is sourced from PubChem (CID 142041824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).