2-phenyl-5-thiophen-2-yl-1H-imidazole

C13H10N2S — CID 71144829

IUPAC2-phenyl-5-thiophen-2-yl-1H-imidazole
SMILESc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C13H10N2S/c1-2-5-10(6-3-1)13-14-9-11(15-13)12-7-4-8-16-12/h1-9H,(H,14,15)
InChIKeyFCLYMCAZNWGPKQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.81
Rot. Bonds2

About 2-phenyl-5-thiophen-2-yl-1H-imidazole

2-phenyl-5-thiophen-2-yl-1H-imidazole (PubChem CID 71144829) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-phenyl-5-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-phenyl-5-thiophen-2-yl-1H-imidazole
PubChem CID71144829
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name2-phenyl-5-thiophen-2-yl-1H-imidazole
SMILESc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C13H10N2S/c1-2-5-10(6-3-1)13-14-9-11(15-13)12-7-4-8-16-12/h1-9H,(H,14,15)
InChIKeyFCLYMCAZNWGPKQ-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-thiophen-2-yl-1H-imidazole?
The IUPAC name of 2-phenyl-5-thiophen-2-yl-1H-imidazole (CID 71144829) is 2-phenyl-5-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 2-phenyl-5-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 2-phenyl-5-thiophen-2-yl-1H-imidazole is c1ccc(-c2ncc(-c3cccs3)[nH]2)cc1.
What is the InChIKey of 2-phenyl-5-thiophen-2-yl-1H-imidazole?
The InChIKey is FCLYMCAZNWGPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-5-10(6-3-1)13-14-9-11(15-13)12-7-4-8-16-12/h1-9H,(H,14,15).
What are the key properties of 2-phenyl-5-thiophen-2-yl-1H-imidazole?
2-phenyl-5-thiophen-2-yl-1H-imidazole has a molecular weight of 226.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 71144829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).