5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole

C13H10Cl2N2O — CID 114103153

IUPAC5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole
SMILESCCc1occc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H10Cl2N2O/c1-2-12-7(3-4-18-12)13-16-10-5-8(14)9(15)6-11(10)17-13/h3-6H,2H2,1H3,(H,16,17)
InChIKeyMHAMPZGXJDIPDM-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.69
Rot. Bonds2

About 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole

5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole (PubChem CID 114103153) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole
PubChem CID114103153
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole
SMILESCCc1occc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H10Cl2N2O/c1-2-12-7(3-4-18-12)13-16-10-5-8(14)9(15)6-11(10)17-13/h3-6H,2H2,1H3,(H,16,17)
InChIKeyMHAMPZGXJDIPDM-UHFFFAOYSA-N
XLogP4.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
CID 82003787
N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine
CID 18621430
2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 106688276
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939532
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
2-(2-chlorofuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106688273
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
CID 136751628

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole (CID 114103153) is 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole is CCc1occc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole?
The InChIKey is MHAMPZGXJDIPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-2-12-7(3-4-18-12)13-16-10-5-8(14)9(15)6-11(10)17-13/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole?
5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole has a molecular weight of 281.14 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole is sourced from PubChem (CID 114103153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).