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

C72H56F12N28O3 — CID 158743065

IUPAC2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1F.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C18H13F4N7O.C18H14F3N7O.C18H14F3N7.C18H15F2N7O/c1-30-11-6-5-9(8-10(11)19)24-17-27-15(26-16(23)28-17)13-14(18(20,21)22)25-12-4-2-3-7-29(12)13;1-10-23-13-4-2-3-5-14(13)28(10)17-26-15(22)25-16(27-17)24-11-6-8-12(9-7-11)29-18(19,20)21;1-10-23-13-4-2-3-5-14(13)28(10)17-26-15(22)25-16(27-17)24-12-8-6-11(7-9-12)18(19,20)21;1-10-22-13-4-2-3-5-14(13)27(10)18-25-16(21)24-17(26-18)23-11-6-8-12(9-7-11)28-15(19)20/h2-8H,1H3,(H3,23,24,26,27,28);2-9H,1H3,(H3,22,24,25,26,27);2-9H,1H3,(H3,22,24,25,26,27);2-9,15H,1H3,(H3,21,23,24,25,26)
InChIKeyIMNUNSOJIBVYHB-UHFFFAOYSA-N
MW1589.41 g/mol
LogP14.73
Rot. Bonds16

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

2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 158743065) has the molecular formula C72H56F12N28O3 and a molecular weight of 1589.41 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID158743065
Molecular FormulaC72H56F12N28O3
Molecular Weight1589.41 g/mol
Exact Mass1588.49
IUPAC Name2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1F.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C18H13F4N7O.C18H14F3N7O.C18H14F3N7.C18H15F2N7O/c1-30-11-6-5-9(8-10(11)19)24-17-27-15(26-16(23)28-17)13-14(18(20,21)22)25-12-4-2-3-7-29(12)13;1-10-23-13-4-2-3-5-14(13)28(10)17-26-15(22)25-16(27-17)24-11-6-8-12(9-7-11)29-18(19,20)21;1-10-23-13-4-2-3-5-14(13)28(10)17-26-15(22)25-16(27-17)24-12-8-6-11(7-9-12)18(19,20)21;1-10-22-13-4-2-3-5-14(13)27(10)18-25-16(21)24-17(26-18)23-11-6-8-12(9-7-11)28-15(19)20/h2-8H,1H3,(H3,23,24,26,27,28);2-9H,1H3,(H3,22,24,25,26,27);2-9H,1H3,(H3,22,24,25,26,27);2-9,15H,1H3,(H3,21,23,24,25,26)
InChIKeyIMNUNSOJIBVYHB-UHFFFAOYSA-N
XLogP14.73
TPSA405.33 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.41
LogP ≤ 514.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-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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1-[4-Methoxy-3-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
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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
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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
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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

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 158743065) is 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-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-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1F.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IMNUNSOJIBVYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N7O.C18H14F3N7O.C18H14F3N7.C18H15F2N7O/c1-30-11-6-5-9(8-10(11)19)24-17-27-15(26-16(23)28-17)13-14(18(20,21)22)25-12-4-2-3-7-29(12)13;1-10-23-13-4-2-3-5-14(13)28(10)17-26-15(22)25-16(27-17)24-11-6-8-12(9-7-11)29-18(19,20)21;1-10-23-13-4-2-3-5-14(13)28(10)17-26-15(22)25-16(27-17)24-12-8-6-11(7-9-12)18(19,20)21;1-10-22-13-4-2-3-5-14(13)27(10)18-25-16(21)24-17(26-18)23-11-6-8-12(9-7-11)28-15(19)20/h2-8H,1H3,(H3,23,24,26,27,28);2-9H,1H3,(H3,22,24,25,26,27);2-9H,1H3,(H3,22,24,25,26,27);2-9,15H,1H3,(H3,21,23,24,25,26).
What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1589.41 g/mol, XLogP of 14.73, 16 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(3-fluoro-4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158743065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).