2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole

C13H12N2S — CID 54334600

IUPAC2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole
SMILESc1cc(-c2ccc(C3=NCCN3)cc2)cs1
InChIInChI=1S/C13H12N2S/c1-3-11(13-14-6-7-15-13)4-2-10(1)12-5-8-16-9-12/h1-5,8-9H,6-7H2,(H,14,15)
InChIKeyTUODSCHIBYIXIE-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole

2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 54334600) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole
PubChem CID54334600
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole
SMILESc1cc(-c2ccc(C3=NCCN3)cc2)cs1
InChIInChI=1S/C13H12N2S/c1-3-11(13-14-6-7-15-13)4-2-10(1)12-5-8-16-9-12/h1-5,8-9H,6-7H2,(H,14,15)
InChIKeyTUODSCHIBYIXIE-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole (CID 54334600) is 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole is c1cc(-c2ccc(C3=NCCN3)cc2)cs1.
What is the InChIKey of 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is TUODSCHIBYIXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-3-11(13-14-6-7-15-13)4-2-10(1)12-5-8-16-9-12/h1-5,8-9H,6-7H2,(H,14,15).
What are the key properties of 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole?
2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 228.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 54334600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).