2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole

C112H142F2N10O12 — CID 158117187

IUPAC2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)CCOc1ccc2nc(COc3ccc(C(C)(F)F)cc3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3ccc(C)cc3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3cccc(C)c3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3cccc(OC)c3)n(CC(C)C)c2c1.COc1cccc(OCc2nc3ccc(OCCC(C)C)cc3n2CC(C)C)c1
InChIInChI=1S/C25H32F2N2O2.C24H32N2O3.C21H26N2O3.2C21H26N2O2/c1-17(2)12-13-30-21-10-11-22-23(14-21)29(15-18(3)4)24(28-22)16-31-20-8-6-19(7-9-20)25(5,26)27;1-17(2)11-12-28-21-9-10-22-23(14-21)26(15-18(3)4)24(25-22)16-29-20-8-6-7-19(13-20)27-5;1-5-25-18-9-10-19-20(12-18)23(13-15(2)3)21(22-19)14-26-17-8-6-7-16(11-17)24-4;1-5-24-18-10-11-19-20(12-18)23(13-15(2)3)21(22-19)14-25-17-8-6-16(4)7-9-17;1-5-24-18-9-10-19-20(12-18)23(13-15(2)3)21(22-19)14-25-17-8-6-7-16(4)11-17/h6-11,14,17-18H,12-13,15-16H2,1-5H3;6-10,13-14,17-18H,11-12,15-16H2,1-5H3;6-12,15H,5,13-14H2,1-4H3;2*6-12,15H,5,13-14H2,1-4H3
InChIKeyFRDRZCRECQEZSD-UHFFFAOYSA-N
MW1858.42 g/mol
LogP27.15
Rot. Bonds42

About 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole

2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole (PubChem CID 158117187) has the molecular formula C112H142F2N10O12 and a molecular weight of 1858.42 g/mol. Its IUPAC name is 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole
PubChem CID158117187
Molecular FormulaC112H142F2N10O12
Molecular Weight1858.42 g/mol
Exact Mass1857.08
IUPAC Name2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)CCOc1ccc2nc(COc3ccc(C(C)(F)F)cc3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3ccc(C)cc3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3cccc(C)c3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3cccc(OC)c3)n(CC(C)C)c2c1.COc1cccc(OCc2nc3ccc(OCCC(C)C)cc3n2CC(C)C)c1
InChIInChI=1S/C25H32F2N2O2.C24H32N2O3.C21H26N2O3.2C21H26N2O2/c1-17(2)12-13-30-21-10-11-22-23(14-21)29(15-18(3)4)24(28-22)16-31-20-8-6-19(7-9-20)25(5,26)27;1-17(2)11-12-28-21-9-10-22-23(14-21)26(15-18(3)4)24(25-22)16-29-20-8-6-7-19(13-20)27-5;1-5-25-18-9-10-19-20(12-18)23(13-15(2)3)21(22-19)14-26-17-8-6-7-16(11-17)24-4;1-5-24-18-10-11-19-20(12-18)23(13-15(2)3)21(22-19)14-25-17-8-6-16(4)7-9-17;1-5-24-18-9-10-19-20(12-18)23(13-15(2)3)21(22-19)14-25-17-8-6-7-16(4)11-17/h6-11,14,17-18H,12-13,15-16H2,1-5H3;6-10,13-14,17-18H,11-12,15-16H2,1-5H3;6-12,15H,5,13-14H2,1-4H3;2*6-12,15H,5,13-14H2,1-4H3
InChIKeyFRDRZCRECQEZSD-UHFFFAOYSA-N
XLogP27.15
TPSA199.86 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.42
LogP ≤ 527.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole with MolForge

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Related Compounds

1-(2-Trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)-6-[2-(morpholin-4-yl)ethoxy]benzimidazole
CID 19353967
1-(2-trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)-6-[2-(N,N-diisopropylamino)ethoxy]-benzimidazole
CID 19354035
N-[2-[3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 19354007
3-[3-butyl-7-[3-(diethylamino)propoxy]-2-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-(2-pyrrolidin-1-ylethoxy)phenyl]benzimidazol-5-yl]oxy-N,N-diethylpropan-1-amine
CID 11170283
3-[1-butyl-2-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-(2-pyrrolidin-1-ylethoxy)phenyl]-6-(2-pyrrolidin-1-ylethoxy)benzimidazol-4-yl]oxy-N,N-diethylpropan-1-amine
CID 11308786
1-(2-Trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)-6-[2-(piperidin-1-yl)ethoxy]benzimidazole
CID 15388689
1-(2-trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)-6-[3-(N,N-dimethylamino)propoxy]-benzimidazole
CID 19353916
1-(2-Trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)-6-[3-(piperidin-1-yl)propoxy]benzimidazole
CID 19353919
1-(2-trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)-6-[2-(N,N-dimethylamino)ethoxy]-benzimidazole
CID 19353938
6-[2-(Azepan-1-yl)ethoxy]-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353951
1-(2-trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)-6-[2-(N,N-dimethylamino)propoxy]-benzimidazole
CID 19353980
1-(2-Trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)-6-[2-(pyrrolidin-1-yl)ethoxy]benzimidazole
CID 19353983

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole (CID 158117187) is 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole is CC(C)CCOc1ccc2nc(COc3ccc(C(C)(F)F)cc3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3ccc(C)cc3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3cccc(C)c3)n(CC(C)C)c2c1.CCOc1ccc2nc(COc3cccc(OC)c3)n(CC(C)C)c2c1.COc1cccc(OCc2nc3ccc(OCCC(C)C)cc3n2CC(C)C)c1.
What is the InChIKey of 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole?
The InChIKey is FRDRZCRECQEZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O2.C24H32N2O3.C21H26N2O3.2C21H26N2O2/c1-17(2)12-13-30-21-10-11-22-23(14-21)29(15-18(3)4)24(28-22)16-31-20-8-6-19(7-9-20)25(5,26)27;1-17(2)11-12-28-21-9-10-22-23(14-21)26(15-18(3)4)24(25-22)16-29-20-8-6-7-19(13-20)27-5;1-5-25-18-9-10-19-20(12-18)23(13-15(2)3)21(22-19)14-26-17-8-6-7-16(11-17)24-4;1-5-24-18-10-11-19-20(12-18)23(13-15(2)3)21(22-19)14-25-17-8-6-16(4)7-9-17;1-5-24-18-9-10-19-20(12-18)23(13-15(2)3)21(22-19)14-25-17-8-6-7-16(4)11-17/h6-11,14,17-18H,12-13,15-16H2,1-5H3;6-10,13-14,17-18H,11-12,15-16H2,1-5H3;6-12,15H,5,13-14H2,1-4H3;2*6-12,15H,5,13-14H2,1-4H3.
What are the key properties of 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole?
2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole has a molecular weight of 1858.42 g/mol, XLogP of 27.15, 42 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,1-difluoroethyl)phenoxy]methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methoxyphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(3-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;6-ethoxy-2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole;2-[(3-methoxyphenoxy)methyl]-6-(3-methylbutoxy)-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 158117187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).