2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole

C18H13ClN2O2 — CID 132591742

IUPAC2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4)o3)[nH]c2c1
InChIInChI=1S/C18H13ClN2O2/c1-22-13-6-7-14-15(10-13)21-18(20-14)17-9-8-16(23-17)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,20,21)
InChIKeyHPVDXAUQEWADSQ-UHFFFAOYSA-N
MW324.77 g/mol
LogP5.15
Rot. Bonds3

About 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole

2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole (PubChem CID 132591742) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole
PubChem CID132591742
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4)o3)[nH]c2c1
InChIInChI=1S/C18H13ClN2O2/c1-22-13-6-7-14-15(10-13)21-18(20-14)17-9-8-16(23-17)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,20,21)
InChIKeyHPVDXAUQEWADSQ-UHFFFAOYSA-N
XLogP5.15
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.77
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674039
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
2-(1-benzofuran-2-yl)-6-methoxy-1H-benzimidazole
CID 65017699
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
CID 114821621
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 118624494
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole (CID 132591742) is 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4)o3)[nH]c2c1.
What is the InChIKey of 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole?
The InChIKey is HPVDXAUQEWADSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c1-22-13-6-7-14-15(10-13)21-18(20-14)17-9-8-16(23-17)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,20,21).
What are the key properties of 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole?
2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole has a molecular weight of 324.77 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 132591742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).