2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine

C80H66F16N22O — CID 160640972

IUPAC2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine
SMILESCc1cc2nc(N)n(C(C)(C)C)c2cc1C#N.Cc1cc2nc(N)n(C3CCC3)c2cc1C#N.N#Cc1ccc2nc(N)n(-c3ccc(F)cn3)c2c1.Nc1nc2cc(C(F)(F)F)cc(F)c2n1C1CCC1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H9F6N3O.C14H8F5N3.C13H8FN5.C13H14N4.C13H16N4.C12H11F4N3/c16-14(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;15-8-4-9(16)6-10(5-8)22-12-3-7(14(17,18)19)1-2-11(12)21-13(22)20;14-9-2-4-12(17-7-9)19-11-5-8(6-15)1-3-10(11)18-13(19)16;1-8-5-11-12(6-9(8)7-14)17(13(15)16-11)10-3-2-4-10;1-8-5-10-11(6-9(8)7-14)17(12(15)16-10)13(2,3)4;13-8-4-6(12(14,15)16)5-9-10(8)19(11(17)18-9)7-2-1-3-7/h1-7H,(H2,22,23);1-6H,(H2,20,21);1-5,7H,(H2,16,18);5-6,10H,2-4H2,1H3,(H2,15,16);5-6H,1-4H3,(H2,15,16);4-5,7H,1-3H2,(H2,17,18)
InChIKeyRJDZYLXZDKPESA-UHFFFAOYSA-N
MW1655.53 g/mol
LogP19.02
Rot. Bonds6

About 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine

2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 160640972) has the molecular formula C80H66F16N22O and a molecular weight of 1655.53 g/mol. Its IUPAC name is 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine
PubChem CID160640972
Molecular FormulaC80H66F16N22O
Molecular Weight1655.53 g/mol
Exact Mass1654.55
IUPAC Name2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine
SMILESCc1cc2nc(N)n(C(C)(C)C)c2cc1C#N.Cc1cc2nc(N)n(C3CCC3)c2cc1C#N.N#Cc1ccc2nc(N)n(-c3ccc(F)cn3)c2c1.Nc1nc2cc(C(F)(F)F)cc(F)c2n1C1CCC1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H9F6N3O.C14H8F5N3.C13H8FN5.C13H14N4.C13H16N4.C12H11F4N3/c16-14(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;15-8-4-9(16)6-10(5-8)22-12-3-7(14(17,18)19)1-2-11(12)21-13(22)20;14-9-2-4-12(17-7-9)19-11-5-8(6-15)1-3-10(11)18-13(19)16;1-8-5-11-12(6-9(8)7-14)17(13(15)16-11)10-3-2-4-10;1-8-5-10-11(6-9(8)7-14)17(12(15)16-10)13(2,3)4;13-8-4-6(12(14,15)16)5-9-10(8)19(11(17)18-9)7-2-1-3-7/h1-7H,(H2,22,23);1-6H,(H2,20,21);1-5,7H,(H2,16,18);5-6,10H,2-4H2,1H3,(H2,15,16);5-6H,1-4H3,(H2,15,16);4-5,7H,1-3H2,(H2,17,18)
InChIKeyRJDZYLXZDKPESA-UHFFFAOYSA-N
XLogP19.02
TPSA356.53 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds6
Heavy Atoms119
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.53
LogP ≤ 519.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-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 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine (CID 160640972) is 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine is Cc1cc2nc(N)n(C(C)(C)C)c2cc1C#N.Cc1cc2nc(N)n(C3CCC3)c2cc1C#N.N#Cc1ccc2nc(N)n(-c3ccc(F)cn3)c2c1.Nc1nc2cc(C(F)(F)F)cc(F)c2n1C1CCC1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is RJDZYLXZDKPESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O.C14H8F5N3.C13H8FN5.C13H14N4.C13H16N4.C12H11F4N3/c16-14(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;15-8-4-9(16)6-10(5-8)22-12-3-7(14(17,18)19)1-2-11(12)21-13(22)20;14-9-2-4-12(17-7-9)19-11-5-8(6-15)1-3-10(11)18-13(19)16;1-8-5-11-12(6-9(8)7-14)17(13(15)16-11)10-3-2-4-10;1-8-5-10-11(6-9(8)7-14)17(12(15)16-10)13(2,3)4;13-8-4-6(12(14,15)16)5-9-10(8)19(11(17)18-9)7-2-1-3-7/h1-7H,(H2,22,23);1-6H,(H2,20,21);1-5,7H,(H2,16,18);5-6,10H,2-4H2,1H3,(H2,15,16);5-6H,1-4H3,(H2,15,16);4-5,7H,1-3H2,(H2,17,18).
What are the key properties of 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine?
2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 1655.53 g/mol, XLogP of 19.02, 6 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 160640972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).