2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole

C14H12N2S — CID 15057079

IUPAC2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole
SMILESc1ccc(-c2ncc(Cc3ccsc3)[nH]2)cc1
InChIInChI=1S/C14H12N2S/c1-2-4-12(5-3-1)14-15-9-13(16-14)8-11-6-7-17-10-11/h1-7,9-10H,8H2,(H,15,16)
InChIKeyJHAWHUWIUPVHDB-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.73
Rot. Bonds3

About 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole

2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole (PubChem CID 15057079) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole
PubChem CID15057079
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole
SMILESc1ccc(-c2ncc(Cc3ccsc3)[nH]2)cc1
InChIInChI=1S/C14H12N2S/c1-2-4-12(5-3-1)14-15-9-13(16-14)8-11-6-7-17-10-11/h1-7,9-10H,8H2,(H,15,16)
InChIKeyJHAWHUWIUPVHDB-UHFFFAOYSA-N
XLogP3.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.73
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-3-ylmethyl)-1H-imidazole?
The IUPAC name of 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole (CID 15057079) is 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole is c1ccc(-c2ncc(Cc3ccsc3)[nH]2)cc1.
What is the InChIKey of 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole?
The InChIKey is JHAWHUWIUPVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-4-12(5-3-1)14-15-9-13(16-14)8-11-6-7-17-10-11/h1-7,9-10H,8H2,(H,15,16).
What are the key properties of 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole?
2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole has a molecular weight of 240.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 15057079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).