1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole

C14H14N2S — CID 174496474

IUPAC1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole
SMILESc1ccc(CN2CCN=C2c2cccs2)cc1
InChIInChI=1S/C14H14N2S/c1-2-5-12(6-3-1)11-16-9-8-15-14(16)13-7-4-10-17-13/h1-7,10H,8-9,11H2
InChIKeyLEDOLQXDYJPDRE-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.01
Rot. Bonds3

About 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole

1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole (PubChem CID 174496474) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole
PubChem CID174496474
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole
SMILESc1ccc(CN2CCN=C2c2cccs2)cc1
InChIInChI=1S/C14H14N2S/c1-2-5-12(6-3-1)11-16-9-8-15-14(16)13-7-4-10-17-13/h1-7,10H,8-9,11H2
InChIKeyLEDOLQXDYJPDRE-UHFFFAOYSA-N
XLogP3.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole?
The IUPAC name of 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole (CID 174496474) is 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole.
What is the SMILES notation for 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole?
The canonical SMILES for 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole is c1ccc(CN2CCN=C2c2cccs2)cc1.
What is the InChIKey of 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole?
The InChIKey is LEDOLQXDYJPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-5-12(6-3-1)11-16-9-8-15-14(16)13-7-4-10-17-13/h1-7,10H,8-9,11H2.
What are the key properties of 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole?
1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole has a molecular weight of 242.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-thiophen-2-yl-4,5-dihydroimidazole is sourced from PubChem (CID 174496474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).