2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole

C9H12N2S — CID 44587507

IUPAC2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole
SMILESc1csc(CCC2=NCCN2)c1
InChIInChI=1S/C9H12N2S/c1-2-8(12-7-1)3-4-9-10-5-6-11-9/h1-2,7H,3-6H2,(H,10,11)
InChIKeyRXGQSIVMPOERBA-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.68
Rot. Bonds3

About 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole

2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole (PubChem CID 44587507) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole
PubChem CID44587507
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole
SMILESc1csc(CCC2=NCCN2)c1
InChIInChI=1S/C9H12N2S/c1-2-8(12-7-1)3-4-9-10-5-6-11-9/h1-2,7H,3-6H2,(H,10,11)
InChIKeyRXGQSIVMPOERBA-UHFFFAOYSA-N
XLogP1.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole (CID 44587507) is 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole is c1csc(CCC2=NCCN2)c1.
What is the InChIKey of 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is RXGQSIVMPOERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-8(12-7-1)3-4-9-10-5-6-11-9/h1-2,7H,3-6H2,(H,10,11).
What are the key properties of 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole?
2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 180.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 44587507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).