1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine

C76H58F21N15O6 — CID 158573300

IUPAC1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine
SMILESCCOC(=O)Cc1ccc2nc(N)n(-c3ccc(F)cc3)c2c1F.CCOC(=O)Cc1ccc2nc(N)n(C3CCC3)c2c1F.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(F)c(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)c(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F2N3O2.C15H8F7N3O.C15H9F6N3O.C15H18FN3O2.C14H8F5N3/c1-2-24-14(23)9-10-3-8-13-16(15(10)19)22(17(20)21-13)12-6-4-11(18)5-7-12;16-9-6-8(2-4-12(9)26-15(20,21)22)25-11-5-7(14(17,18)19)1-3-10(11)24-13(25)23;16-14(17,18)8-1-6-11-12(7-8)24(13(22)23-11)9-2-4-10(5-3-9)25-15(19,20)21;1-2-21-12(20)8-9-6-7-11-14(13(9)16)19(15(17)18-11)10-4-3-5-10;15-9-3-2-8(6-10(9)16)22-12-5-7(14(17,18)19)1-4-11(12)21-13(22)20/h3-8H,2,9H2,1H3,(H2,20,21);1-6H,(H2,23,24);1-7H,(H2,22,23);6-7,10H,2-5,8H2,1H3,(H2,17,18);1-6H,(H2,20,21)
InChIKeyHSIQYUAOCQUEIA-UHFFFAOYSA-N
MW1676.36 g/mol
LogP18.67
Rot. Bonds13

About 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine

1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 158573300) has the molecular formula C76H58F21N15O6 and a molecular weight of 1676.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine
PubChem CID158573300
Molecular FormulaC76H58F21N15O6
Molecular Weight1676.36 g/mol
Exact Mass1675.44
IUPAC Name1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine
SMILESCCOC(=O)Cc1ccc2nc(N)n(-c3ccc(F)cc3)c2c1F.CCOC(=O)Cc1ccc2nc(N)n(C3CCC3)c2c1F.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(F)c(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)c(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F2N3O2.C15H8F7N3O.C15H9F6N3O.C15H18FN3O2.C14H8F5N3/c1-2-24-14(23)9-10-3-8-13-16(15(10)19)22(17(20)21-13)12-6-4-11(18)5-7-12;16-9-6-8(2-4-12(9)26-15(20,21)22)25-11-5-7(14(17,18)19)1-3-10(11)24-13(25)23;16-14(17,18)8-1-6-11-12(7-8)24(13(22)23-11)9-2-4-10(5-3-9)25-15(19,20)21;1-2-21-12(20)8-9-6-7-11-14(13(9)16)19(15(17)18-11)10-4-3-5-10;15-9-3-2-8(6-10(9)16)22-12-5-7(14(17,18)19)1-4-11(12)21-13(22)20/h3-8H,2,9H2,1H3,(H2,20,21);1-6H,(H2,23,24);1-7H,(H2,22,23);6-7,10H,2-5,8H2,1H3,(H2,17,18);1-6H,(H2,20,21)
InChIKeyHSIQYUAOCQUEIA-UHFFFAOYSA-N
XLogP18.67
TPSA290.26 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.36
LogP ≤ 518.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine (CID 158573300) is 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine is CCOC(=O)Cc1ccc2nc(N)n(-c3ccc(F)cc3)c2c1F.CCOC(=O)Cc1ccc2nc(N)n(C3CCC3)c2c1F.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(F)c(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)c(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is HSIQYUAOCQUEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2.C15H8F7N3O.C15H9F6N3O.C15H18FN3O2.C14H8F5N3/c1-2-24-14(23)9-10-3-8-13-16(15(10)19)22(17(20)21-13)12-6-4-11(18)5-7-12;16-9-6-8(2-4-12(9)26-15(20,21)22)25-11-5-7(14(17,18)19)1-3-10(11)24-13(25)23;16-14(17,18)8-1-6-11-12(7-8)24(13(22)23-11)9-2-4-10(5-3-9)25-15(19,20)21;1-2-21-12(20)8-9-6-7-11-14(13(9)16)19(15(17)18-11)10-4-3-5-10;15-9-3-2-8(6-10(9)16)22-12-5-7(14(17,18)19)1-4-11(12)21-13(22)20/h3-8H,2,9H2,1H3,(H2,20,21);1-6H,(H2,23,24);1-7H,(H2,22,23);6-7,10H,2-5,8H2,1H3,(H2,17,18);1-6H,(H2,20,21).
What are the key properties of 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine?
1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 1676.36 g/mol, XLogP of 18.67, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;ethyl 2-(2-amino-3-cyclobutyl-4-fluorobenzimidazol-5-yl)acetate;ethyl 2-[2-amino-4-fluoro-3-(4-fluorophenyl)benzimidazol-5-yl]acetate;1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 158573300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).