2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole

C20H18N2O5S — CID 163695148

IUPAC2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole
SMILESCOc1cc(S(=O)c2ccc3nc(-c4ccco4)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O5S/c1-24-17-10-13(11-18(25-2)19(17)26-3)28(23)12-6-7-14-15(9-12)22-20(21-14)16-5-4-8-27-16/h4-11H,1-3H3,(H,21,22)
InChIKeyJWILUGSEYCGPSS-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.02
Rot. Bonds6

About 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole

2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole (PubChem CID 163695148) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole
PubChem CID163695148
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole
SMILESCOc1cc(S(=O)c2ccc3nc(-c4ccco4)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O5S/c1-24-17-10-13(11-18(25-2)19(17)26-3)28(23)12-6-7-14-15(9-12)22-20(21-14)16-5-4-8-27-16/h4-11H,1-3H3,(H,21,22)
InChIKeyJWILUGSEYCGPSS-UHFFFAOYSA-N
XLogP4.02
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 57047313
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
4,5-bis(furan-2-yl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 4881297
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
CID 135511118
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole
CID 79630468
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)-1H-benzimidazole
CID 168554064
6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
CID 155550554

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole?
The IUPAC name of 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole (CID 163695148) is 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole is COc1cc(S(=O)c2ccc3nc(-c4ccco4)[nH]c3c2)cc(OC)c1OC.
What is the InChIKey of 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole?
The InChIKey is JWILUGSEYCGPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-24-17-10-13(11-18(25-2)19(17)26-3)28(23)12-6-7-14-15(9-12)22-20(21-14)16-5-4-8-27-16/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole?
2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole has a molecular weight of 398.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole is sourced from PubChem (CID 163695148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).