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

C22H19ClF2N2O2 — CID 44530260

IUPAC2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)o1
InChIInChI=1S/C22H19ClF2N2O2/c1-12(2)11-28-20-5-3-14(23)7-13(20)8-15-4-6-21(29-15)22-26-18-9-16(24)17(25)10-19(18)27-22/h3-7,9-10,12H,8,11H2,1-2H3,(H,26,27)
InChIKeyVJTYSMIVAMDHTF-UHFFFAOYSA-N
MW416.86 g/mol
LogP6.38
Rot. Bonds6

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

2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole (PubChem CID 44530260) has the molecular formula C22H19ClF2N2O2 and a molecular weight of 416.86 g/mol. Its IUPAC name is 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole
PubChem CID44530260
Molecular FormulaC22H19ClF2N2O2
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)o1
InChIInChI=1S/C22H19ClF2N2O2/c1-12(2)11-28-20-5-3-14(23)7-13(20)8-15-4-6-21(29-15)22-26-18-9-16(24)17(25)10-19(18)27-22/h3-7,9-10,12H,8,11H2,1-2H3,(H,26,27)
InChIKeyVJTYSMIVAMDHTF-UHFFFAOYSA-N
XLogP6.38
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole with MolForge

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Related Compounds

Neurodazine
CID 16112820
2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
CID 459929
(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(3-chloro-2-methylphenyl)furan-2-yl]prop-2-enenitrile
CID 5290576
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)-2-furamide
CID 1112705
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-6-fluoro-1H-benzimidazole
CID 44530241
6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole
CID 44530242
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-4,5-difluoro-1H-benzimidazole
CID 44530261
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 44530262
2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 44530371
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-4-fluoro-1H-benzimidazole
CID 44530389
2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;hydrochloride
CID 44530435
N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 2547579

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole (CID 44530260) is 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole is CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)o1.
What is the InChIKey of 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole?
The InChIKey is VJTYSMIVAMDHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O2/c1-12(2)11-28-20-5-3-14(23)7-13(20)8-15-4-6-21(29-15)22-26-18-9-16(24)17(25)10-19(18)27-22/h3-7,9-10,12H,8,11H2,1-2H3,(H,26,27).
What are the key properties of 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole?
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole has a molecular weight of 416.86 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 44530260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).