6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole

C22H20Cl2N2O2 — CID 44530242

IUPAC6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1
InChIInChI=1S/C22H20Cl2N2O2/c1-13(2)12-27-20-7-4-15(23)9-14(20)10-17-5-8-21(28-17)22-25-18-6-3-16(24)11-19(18)26-22/h3-9,11,13H,10,12H2,1-2H3,(H,25,26)
InChIKeyOOQCKTHZNPDQCJ-UHFFFAOYSA-N
MW415.32 g/mol
LogP6.76
Rot. Bonds6

About 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole

6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole (PubChem CID 44530242) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole
PubChem CID44530242
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1
InChIInChI=1S/C22H20Cl2N2O2/c1-13(2)12-27-20-7-4-15(23)9-14(20)10-17-5-8-21(28-17)22-25-18-6-3-16(24)11-19(18)26-22/h3-9,11,13H,10,12H2,1-2H3,(H,25,26)
InChIKeyOOQCKTHZNPDQCJ-UHFFFAOYSA-N
XLogP6.76
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole (CID 44530242) is 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole is CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1.
What is the InChIKey of 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole?
The InChIKey is OOQCKTHZNPDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-13(2)12-27-20-7-4-15(23)9-14(20)10-17-5-8-21(28-17)22-25-18-6-3-16(24)11-19(18)26-22/h3-9,11,13H,10,12H2,1-2H3,(H,25,26).
What are the key properties of 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole?
6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole has a molecular weight of 415.32 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 44530242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).