2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole

C29H18N2OS — CID 141005014

IUPAC2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole
SMILESc1cc(-c2nc3ccccc3[nH]2)c(-c2cc3ccccc3s2)c(-c2cc3ccccc3o2)c1
InChIInChI=1S/C29H18N2OS/c1-5-14-24-18(8-1)16-25(32-24)20-10-7-11-21(29-30-22-12-3-4-13-23(22)31-29)28(20)27-17-19-9-2-6-15-26(19)33-27/h1-17H,(H,30,31)
InChIKeyRXPHKGDMUOWJRI-UHFFFAOYSA-N
MW442.54 g/mol
LogP8.52
Rot. Bonds3

About 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole

2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole (PubChem CID 141005014) has the molecular formula C29H18N2OS and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole
PubChem CID141005014
Molecular FormulaC29H18N2OS
Molecular Weight442.54 g/mol
Exact Mass442.11
IUPAC Name2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole
SMILESc1cc(-c2nc3ccccc3[nH]2)c(-c2cc3ccccc3s2)c(-c2cc3ccccc3o2)c1
InChIInChI=1S/C29H18N2OS/c1-5-14-24-18(8-1)16-25(32-24)20-10-7-11-21(29-30-22-12-3-4-13-23(22)31-29)28(20)27-17-19-9-2-6-15-26(19)33-27/h1-17H,(H,30,31)
InChIKeyRXPHKGDMUOWJRI-UHFFFAOYSA-N
XLogP8.52
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 145958597
Fgi-103
CID 5477931
2-Dibenzofuran-2-yl-1H-benzoimidazole-5-carboxylic acid amide
CID 11427396
2-[4-[5-(1H-benzimidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139629
2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzofuran-5-yl]-1H-benzimidazole
CID 25139630
2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139631
(E)-2-(1H-benzimidazol-2-yl)-3-[5-(furan-2-yl)thiophen-2-yl]prop-2-enenitrile
CID 50943152
(E)-2-(1H-benzimidazol-2-yl)-3-(5-thiophen-2-ylfuran-2-yl)prop-2-enenitrile
CID 57400217
N-isopropyl-2-[5-(4-oxochromen-2-yl)-2-thienyl]-1H-benzimidazole-5-carboxamidine
CID 3007955
2-(2-(5-(Amino(imino)methyl)-1-benzofuran-2-yl)vinyl)-1h-benzimidazole-5-carboximidamide
CID 435430
1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-thiophen-2-ylbutan-1-one
CID 143763281
4-[5-amino-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-2-(1H-benzimidazol-2-yl)-6-methylthieno[2,3-c]pyridin-7-one
CID 155457739

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole (CID 141005014) is 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole is c1cc(-c2nc3ccccc3[nH]2)c(-c2cc3ccccc3s2)c(-c2cc3ccccc3o2)c1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole?
The InChIKey is RXPHKGDMUOWJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2OS/c1-5-14-24-18(8-1)16-25(32-24)20-10-7-11-21(29-30-22-12-3-4-13-23(22)31-29)28(20)27-17-19-9-2-6-15-26(19)33-27/h1-17H,(H,30,31).
What are the key properties of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole?
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole has a molecular weight of 442.54 g/mol, XLogP of 8.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 141005014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).