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

C16H34N2 — CID 142041823

IUPAC4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane
SMILESCC.CCC(C)C1=CN(C)CN1C(CC)C(C)C
InChIInChI=1S/C14H28N2.C2H6/c1-7-12(5)14-9-15(6)10-16(14)13(8-2)11(3)4;1-2/h9,11-13H,7-8,10H2,1-6H3;1-2H3
InChIKeyUNIDQHSBQFEDGJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.54
Rot. Bonds5

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

4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane (PubChem CID 142041823) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane.

Molecular Properties

Compound Name4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane
PubChem CID142041823
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane
SMILESCC.CCC(C)C1=CN(C)CN1C(CC)C(C)C
InChIInChI=1S/C14H28N2.C2H6/c1-7-12(5)14-9-15(6)10-16(14)13(8-2)11(3)4;1-2/h9,11-13H,7-8,10H2,1-6H3;1-2H3
InChIKeyUNIDQHSBQFEDGJ-UHFFFAOYSA-N
XLogP4.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.54
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
1-N,1-N'-dimethyl-1-N'-(4-methylpent-1-en-2-yl)-1-N-propan-2-ylethene-1,1-diamine
CID 169678206
4-Butyl-2-methylidene-5-(2-methylpropyl)-1,3-di(propan-2-yl)imidazole
CID 169910464
1-butyl-3,4-di(propan-2-yl)-2H-imidazole
CID 174848782
4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole
CID 142041824
1,2,4-tributyl-3-methyl-2H-imidazole
CID 160418816
1,3,4-tripentyl-2H-imidazole
CID 175115544

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane?
The IUPAC name of 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane (CID 142041823) is 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane.
What is the SMILES notation for 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane?
The canonical SMILES for 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane is CC.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;ethane?
The InChIKey is UNIDQHSBQFEDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C2H6/c1-7-12(5)14-9-15(6)10-16(14)13(8-2)11(3)4;1-2/h9,11-13H,7-8,10H2,1-6H3;1-2H3.
What are the key properties of 4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane?
4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane has a molecular weight of 254.46 g/mol, XLogP of 4.54, 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;ethane is sourced from PubChem (CID 142041823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).