2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole

C13H11ClN2O3 — CID 106688276

IUPAC2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccoc3Cl)[nH]c2cc1OC
InChIInChI=1S/C13H11ClN2O3/c1-17-10-5-8-9(6-11(10)18-2)16-13(15-8)7-3-4-19-12(7)14/h3-6H,1-2H3,(H,15,16)
InChIKeyGBEYVFFMTYSZQG-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.49
Rot. Bonds3

About 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole

2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 106688276) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID106688276
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccoc3Cl)[nH]c2cc1OC
InChIInChI=1S/C13H11ClN2O3/c1-17-10-5-8-9(6-11(10)18-2)16-13(15-8)7-3-4-19-12(7)14/h3-6H,1-2H3,(H,15,16)
InChIKeyGBEYVFFMTYSZQG-UHFFFAOYSA-N
XLogP3.49
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
2-(2-chlorofuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106688273
2-(2-chlorofuran-3-yl)-3H-benzimidazol-5-ol
CID 106688315
2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 61365501
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 62874984
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532927
5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole
CID 114103153
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-fluoroaniline
CID 61364901
2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110536356
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole (CID 106688276) is 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(-c3ccoc3Cl)[nH]c2cc1OC.
What is the InChIKey of 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is GBEYVFFMTYSZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-17-10-5-8-9(6-11(10)18-2)16-13(15-8)7-3-4-19-12(7)14/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole?
2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 278.70 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 106688276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).