2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C72H50F18N28O — CID 159267061

IUPAC2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2cc(F)ccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1nc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)n1
InChIInChI=1S/C18H10F7N7.2C18H13F4N7.C18H14F3N7O/c19-9-3-6-11-28-13(18(23,24)25)12(32(11)7-9)14-29-15(26)31-16(30-14)27-10-4-1-8(2-5-10)17(20,21)22;1-9-24-13-8-11(19)4-7-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;1-9-24-13-7-4-11(19)8-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;1-9-23-13-7-2-10(19)8-14(13)28(9)18-26-16(22)25-17(27-18)24-11-3-5-12(6-4-11)29-15(20)21/h1-7H,(H3,26,27,29,30,31);2*2-8H,1H3,(H3,23,25,26,27,28);2-8,15H,1H3,(H3,22,24,25,26,27)
InChIKeyKXFYAQWGHUYLRR-UHFFFAOYSA-N
MW1665.35 g/mol
LogP16.28
Rot. Bonds14

About 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 159267061) has the molecular formula C72H50F18N28O and a molecular weight of 1665.35 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID159267061
Molecular FormulaC72H50F18N28O
Molecular Weight1665.35 g/mol
Exact Mass1664.44
IUPAC Name2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2cc(F)ccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1nc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)n1
InChIInChI=1S/C18H10F7N7.2C18H13F4N7.C18H14F3N7O/c19-9-3-6-11-28-13(18(23,24)25)12(32(11)7-9)14-29-15(26)31-16(30-14)27-10-4-1-8(2-5-10)17(20,21)22;1-9-24-13-8-11(19)4-7-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;1-9-24-13-7-4-11(19)8-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;1-9-23-13-7-2-10(19)8-14(13)28(9)18-26-16(22)25-17(27-18)24-11-3-5-12(6-4-11)29-15(20)21/h1-7H,(H3,26,27,29,30,31);2*2-8H,1H3,(H3,23,25,26,27,28);2-8,15H,1H3,(H3,22,24,25,26,27)
InChIKeyKXFYAQWGHUYLRR-UHFFFAOYSA-N
XLogP16.28
TPSA386.87 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001665.35
LogP ≤ 516.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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CID 58300153
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2-imidazo[1,2-a]pyridin-6-yl-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 155549059
4-[[4-[4-[2-(1,1,2,2,2-Pentafluoroethyl)-6-propylimidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
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1-[[4-[2-(2-Amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea
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6-[1-[bis(3-methylbutyl)amino]-2,2,2-trifluoroethyl]-N-(4-methoxyphenyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridin-2-amine
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3-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxypyridin-3-yl)imidazo[1,2-a]pyridin-2-amine
CID 66788949
3-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-fluoro-N-(6-methoxypyridin-3-yl)imidazo[1,2-a]pyridin-2-amine
CID 66789205
3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 90178116
6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 118094720
6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094917

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 159267061) is 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Cc1nc2cc(F)ccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1nc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)n1.
What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KXFYAQWGHUYLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F7N7.2C18H13F4N7.C18H14F3N7O/c19-9-3-6-11-28-13(18(23,24)25)12(32(11)7-9)14-29-15(26)31-16(30-14)27-10-4-1-8(2-5-10)17(20,21)22;1-9-24-13-8-11(19)4-7-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;1-9-24-13-7-4-11(19)8-14(13)29(9)17-27-15(23)26-16(28-17)25-12-5-2-10(3-6-12)18(20,21)22;1-9-23-13-7-2-10(19)8-14(13)28(9)18-26-16(22)25-17(27-18)24-11-3-5-12(6-4-11)29-15(20)21/h1-7H,(H3,26,27,29,30,31);2*2-8H,1H3,(H3,23,25,26,27,28);2-8,15H,1H3,(H3,22,24,25,26,27).
What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1665.35 g/mol, XLogP of 16.28, 14 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159267061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).