2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide

C42H23Cl4F7N6O3 — CID 160689864

IUPAC2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H11Cl2F4N3O.C21H12Cl2F3N3O2/c22-13-2-1-3-14(23)18(13)19-29-16-7-4-10(8-17(16)30-19)20(31)28-11-5-6-15(24)12(9-11)21(25,26)27;22-14-5-2-6-15(23)18(14)19-28-16-8-7-11(9-17(16)29-19)20(30)27-12-3-1-4-13(10-12)31-21(24,25)26/h1-9H,(H,28,31)(H,29,30);1-10H,(H,27,30)(H,28,29)
InChIKeyRPGMMGHRFORANE-UHFFFAOYSA-N
MW934.48 g/mol
LogP13.63
Rot. Bonds7

About 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 160689864) has the molecular formula C42H23Cl4F7N6O3 and a molecular weight of 934.48 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID160689864
Molecular FormulaC42H23Cl4F7N6O3
Molecular Weight934.48 g/mol
Exact Mass932.05
IUPAC Name2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H11Cl2F4N3O.C21H12Cl2F3N3O2/c22-13-2-1-3-14(23)18(13)19-29-16-7-4-10(8-17(16)30-19)20(31)28-11-5-6-15(24)12(9-11)21(25,26)27;22-14-5-2-6-15(23)18(14)19-28-16-8-7-11(9-17(16)29-19)20(30)27-12-3-1-4-13(10-12)31-21(24,25)26/h1-9H,(H,28,31)(H,29,30);1-10H,(H,27,30)(H,28,29)
InChIKeyRPGMMGHRFORANE-UHFFFAOYSA-N
XLogP13.63
TPSA124.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.48
LogP ≤ 513.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177646
2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10181185
2-[4-(4-chloro-3-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 10134470
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 10135471
2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 10177902
N-(trans-4-Trifluoromethyl-cyclohex-1-yl)-2-{2,6-dichloro-3-[(2,2-dimethyl-propionylamino)-methyl]-phenylamino}-6-(difluoromethoxy)-1H-benzimidazole-5-carboxylic acid amide
CID 56839529
N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 10210547
2,4-dichloro-5-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11598500
3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694848
7-chloro-2-(2-chloro-6-fluorophenyl)-N-(6-phenylmethoxy-1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 53357603
7-chloro-2-(2-chloro-6-fluorophenyl)-N-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 53357727
2-(2,6-dichloroanilino)-6-methoxy-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 58562230

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 160689864) is 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is RPGMMGHRFORANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F4N3O.C21H12Cl2F3N3O2/c22-13-2-1-3-14(23)18(13)19-29-16-7-4-10(8-17(16)30-19)20(31)28-11-5-6-15(24)12(9-11)21(25,26)27;22-14-5-2-6-15(23)18(14)19-28-16-8-7-11(9-17(16)29-19)20(30)27-12-3-1-4-13(10-12)31-21(24,25)26/h1-9H,(H,28,31)(H,29,30);1-10H,(H,27,30)(H,28,29).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 934.48 g/mol, XLogP of 13.63, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 160689864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).