2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole

C37H22N2O2S — CID 141360160

IUPAC2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole
SMILESc1ccc2oc(-c3ccc(-c4nc5ccccc5[nH]4)c(-c4occ5ccccc45)c3-c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C37H22N2O2S/c1-4-12-25-24(11-1)21-40-36(25)35-27(37-38-28-13-5-6-14-29(28)39-37)18-17-26(31-19-22-9-2-7-15-30(22)41-31)34(35)33-20-23-10-3-8-16-32(23)42-33/h1-21H,(H,38,39)
InChIKeyFETFHWINLKXAPE-UHFFFAOYSA-N
MW558.66 g/mol
LogP10.94
Rot. Bonds4

About 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole

2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole (PubChem CID 141360160) has the molecular formula C37H22N2O2S and a molecular weight of 558.66 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole
PubChem CID141360160
Molecular FormulaC37H22N2O2S
Molecular Weight558.66 g/mol
Exact Mass558.14
IUPAC Name2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole
SMILESc1ccc2oc(-c3ccc(-c4nc5ccccc5[nH]4)c(-c4occ5ccccc45)c3-c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C37H22N2O2S/c1-4-12-25-24(11-1)21-40-36(25)35-27(37-38-28-13-5-6-14-29(28)39-37)18-17-26(31-19-22-9-2-7-15-30(22)41-31)34(35)33-20-23-10-3-8-16-32(23)42-33/h1-21H,(H,38,39)
InChIKeyFETFHWINLKXAPE-UHFFFAOYSA-N
XLogP10.94
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.66
LogP ≤ 510.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(8-Fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole
CID 156660111
2-[1-(1-benzofuran-2-yl)-7-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-6-(2H-isoindol-1-yl)-2-benzothiophen-5-yl]-1H-benzimidazole
CID 53825994
1H-benzimidazole;1-benzofuran;1-benzothiophene
CID 69493929
2-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-1H-benzimidazole
CID 89829497
2-[3-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-1-phenylbenzimidazole
CID 89948099
2-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-1-phenylbenzimidazole
CID 89948107
2-[3-(3-Dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)phenyl]-1-phenylbenzimidazole
CID 89948120
1-[3-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-2-phenylbenzimidazole
CID 89948134
1-[3-(3-Dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)phenyl]-2-phenylbenzimidazole
CID 89948161
2-[3-(3-Dibenzofuran-2-yldibenzothiophen-1-yl)phenyl]-1-phenylbenzimidazole
CID 124135182
2-(1-benzofuran-6-yl)-6-(1-benzothiophen-2-yl)-1H-benzimidazole
CID 129035811
2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole
CID 134461050

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole (CID 141360160) is 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole is c1ccc2oc(-c3ccc(-c4nc5ccccc5[nH]4)c(-c4occ5ccccc45)c3-c3cc4ccccc4s3)cc2c1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole?
The InChIKey is FETFHWINLKXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O2S/c1-4-12-25-24(11-1)21-40-36(25)35-27(37-38-28-13-5-6-14-29(28)39-37)18-17-26(31-19-22-9-2-7-15-30(22)41-31)34(35)33-20-23-10-3-8-16-32(23)42-33/h1-21H,(H,38,39).
What are the key properties of 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole?
2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole has a molecular weight of 558.66 g/mol, XLogP of 10.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 141360160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).