5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole

C14H20N2S — CID 154989434

IUPAC5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole
SMILESCC(C)C1=NCC(CC(C)(C)c2cccs2)=N1
InChIInChI=1S/C14H20N2S/c1-10(2)13-15-9-11(16-13)8-14(3,4)12-6-5-7-17-12/h5-7,10H,8-9H2,1-4H3
InChIKeyGECKLWCDGZGBJA-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.92
Rot. Bonds4

About 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole

5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole (PubChem CID 154989434) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole.

Molecular Properties

Compound Name5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole
PubChem CID154989434
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole
SMILESCC(C)C1=NCC(CC(C)(C)c2cccs2)=N1
InChIInChI=1S/C14H20N2S/c1-10(2)13-15-9-11(16-13)8-14(3,4)12-6-5-7-17-12/h5-7,10H,8-9H2,1-4H3
InChIKeyGECKLWCDGZGBJA-UHFFFAOYSA-N
XLogP3.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole?
The IUPAC name of 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole (CID 154989434) is 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole.
What is the SMILES notation for 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole?
The canonical SMILES for 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole is CC(C)C1=NCC(CC(C)(C)c2cccs2)=N1.
What is the InChIKey of 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole?
The InChIKey is GECKLWCDGZGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10(2)13-15-9-11(16-13)8-14(3,4)12-6-5-7-17-12/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole?
5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole has a molecular weight of 248.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yl-4H-imidazole is sourced from PubChem (CID 154989434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).