1-(4-methylpentyl)-2-thiophen-2-ylimidazole

C13H18N2S — CID 116621649

IUPAC1-(4-methylpentyl)-2-thiophen-2-ylimidazole
SMILESCC(C)CCCn1ccnc1-c1cccs1
InChIInChI=1S/C13H18N2S/c1-11(2)5-3-8-15-9-7-14-13(15)12-6-4-10-16-12/h4,6-7,9-11H,3,5,8H2,1-2H3
InChIKeyCFBJJLKOLSFEHY-UHFFFAOYSA-N
MW234.37 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-methylpentyl)-2-thiophen-2-ylimidazole

1-(4-methylpentyl)-2-thiophen-2-ylimidazole (PubChem CID 116621649) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(4-methylpentyl)-2-thiophen-2-ylimidazole
PubChem CID116621649
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-(4-methylpentyl)-2-thiophen-2-ylimidazole
SMILESCC(C)CCCn1ccnc1-c1cccs1
InChIInChI=1S/C13H18N2S/c1-11(2)5-3-8-15-9-7-14-13(15)12-6-4-10-16-12/h4,6-7,9-11H,3,5,8H2,1-2H3
InChIKeyCFBJJLKOLSFEHY-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 106731651
N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine
CID 62566840
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
CID 116621663
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
methyl 2-(methylamino)-4-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 55143949
N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
CID 62566108
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-ethyl-2-(methylamino)-5-(2-thiophen-2-ylimidazol-1-yl)pentanoic acid
CID 106806640

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(4-methylpentyl)-2-thiophen-2-ylimidazole (CID 116621649) is 1-(4-methylpentyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(4-methylpentyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(4-methylpentyl)-2-thiophen-2-ylimidazole is CC(C)CCCn1ccnc1-c1cccs1.
What is the InChIKey of 1-(4-methylpentyl)-2-thiophen-2-ylimidazole?
The InChIKey is CFBJJLKOLSFEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-11(2)5-3-8-15-9-7-14-13(15)12-6-4-10-16-12/h4,6-7,9-11H,3,5,8H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)-2-thiophen-2-ylimidazole?
1-(4-methylpentyl)-2-thiophen-2-ylimidazole has a molecular weight of 234.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 116621649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).