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

C15H12N2OS — CID 57447555

IUPAC2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole
SMILESc1csc(-c2cccc3c(C4=NCCN4)occ23)c1
InChIInChI=1S/C15H12N2OS/c1-3-10(13-5-2-8-19-13)12-9-18-14(11(12)4-1)15-16-6-7-17-15/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyRRUBQTQUKCKZMP-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.51
Rot. Bonds2

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

2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole (PubChem CID 57447555) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole
PubChem CID57447555
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole
SMILESc1csc(-c2cccc3c(C4=NCCN4)occ23)c1
InChIInChI=1S/C15H12N2OS/c1-3-10(13-5-2-8-19-13)12-9-18-14(11(12)4-1)15-16-6-7-17-15/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyRRUBQTQUKCKZMP-UHFFFAOYSA-N
XLogP3.51
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole (CID 57447555) is 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole is c1csc(-c2cccc3c(C4=NCCN4)occ23)c1.
What is the InChIKey of 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is RRUBQTQUKCKZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-3-10(13-5-2-8-19-13)12-9-18-14(11(12)4-1)15-16-6-7-17-15/h1-5,8-9H,6-7H2,(H,16,17).
What are the key properties of 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole?
2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 268.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57447555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).