N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C129H132ClF10N35O5 — CID 159894299

IUPACN-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1CC1(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CCC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CCCC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3Cl)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C27H29F2N7O.2C26H27F2N7O.C25H24ClF2N7O.C25H25F2N7O/c28-22(29)23-30-20-10-4-5-11-21(20)36(23)26-32-24(31-25(33-26)35-14-16-37-17-15-35)34-27(12-6-7-13-27)18-19-8-2-1-3-9-19;1-17-6-2-3-7-18(17)16-26(10-11-26)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-9-5-4-8-19(20)29-22(35)21(27)28;27-21(28)22-29-19-9-4-5-10-20(19)35(22)25-31-23(30-24(32-25)34-13-15-36-16-14-34)33-26(11-6-12-26)17-18-7-2-1-3-8-18;26-17-6-2-1-5-16(17)15-25(9-10-25)33-22-30-23(34-11-13-36-14-12-34)32-24(31-22)35-19-8-4-3-7-18(19)29-21(35)20(27)28;26-20(27)21-28-18-8-4-5-9-19(18)34(21)24-30-22(29-23(31-24)33-12-14-35-15-13-33)32-25(10-11-25)16-17-6-2-1-3-7-17/h1-5,8-11,22H,6-7,12-18H2,(H,31,32,33,34);2-9,21H,10-16H2,1H3,(H,30,31,32,33);1-5,7-10,21H,6,11-17H2,(H,30,31,32,33);1-8,20H,9-15H2,(H,30,31,32,33);1-9,20H,10-16H2,(H,29,30,31,32)
InChIKeyNVDMCSJSFBGQCR-UHFFFAOYSA-N
MW2478.15 g/mol
LogP22.99
Rot. Bonds35

About N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 159894299) has the molecular formula C129H132ClF10N35O5 and a molecular weight of 2478.15 g/mol. Its IUPAC name is N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID159894299
Molecular FormulaC129H132ClF10N35O5
Molecular Weight2478.15 g/mol
Exact Mass2476.07
IUPAC NameN-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1CC1(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CCC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CCCC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3Cl)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C27H29F2N7O.2C26H27F2N7O.C25H24ClF2N7O.C25H25F2N7O/c28-22(29)23-30-20-10-4-5-11-21(20)36(23)26-32-24(31-25(33-26)35-14-16-37-17-15-35)34-27(12-6-7-13-27)18-19-8-2-1-3-9-19;1-17-6-2-3-7-18(17)16-26(10-11-26)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-9-5-4-8-19(20)29-22(35)21(27)28;27-21(28)22-29-19-9-4-5-10-20(19)35(22)25-31-23(30-24(32-25)34-13-15-36-16-14-34)33-26(11-6-12-26)17-18-7-2-1-3-8-18;26-17-6-2-1-5-16(17)15-25(9-10-25)33-22-30-23(34-11-13-36-14-12-34)32-24(31-22)35-19-8-4-3-7-18(19)29-21(35)20(27)28;26-20(27)21-28-18-8-4-5-9-19(18)34(21)24-30-22(29-23(31-24)33-12-14-35-15-13-33)32-25(10-11-25)16-17-6-2-1-3-7-17/h1-5,8-11,22H,6-7,12-18H2,(H,31,32,33,34);2-9,21H,10-16H2,1H3,(H,30,31,32,33);1-5,7-10,21H,6,11-17H2,(H,30,31,32,33);1-8,20H,9-15H2,(H,30,31,32,33);1-9,20H,10-16H2,(H,29,30,31,32)
InChIKeyNVDMCSJSFBGQCR-UHFFFAOYSA-N
XLogP22.99
TPSA404.95 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.15
LogP ≤ 522.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 159894299) is N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccccc1CC1(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CCC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3)CCCC2)nc(N2CCOCC2)n1.FC(F)c1nc2ccccc2n1-c1nc(NC2(Cc3ccccc3Cl)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is NVDMCSJSFBGQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O.2C26H27F2N7O.C25H24ClF2N7O.C25H25F2N7O/c28-22(29)23-30-20-10-4-5-11-21(20)36(23)26-32-24(31-25(33-26)35-14-16-37-17-15-35)34-27(12-6-7-13-27)18-19-8-2-1-3-9-19;1-17-6-2-3-7-18(17)16-26(10-11-26)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-9-5-4-8-19(20)29-22(35)21(27)28;27-21(28)22-29-19-9-4-5-10-20(19)35(22)25-31-23(30-24(32-25)34-13-15-36-16-14-34)33-26(11-6-12-26)17-18-7-2-1-3-8-18;26-17-6-2-1-5-16(17)15-25(9-10-25)33-22-30-23(34-11-13-36-14-12-34)32-24(31-22)35-19-8-4-3-7-18(19)29-21(35)20(27)28;26-20(27)21-28-18-8-4-5-9-19(18)34(21)24-30-22(29-23(31-24)33-12-14-35-15-13-33)32-25(10-11-25)16-17-6-2-1-3-7-17/h1-5,8-11,22H,6-7,12-18H2,(H,31,32,33,34);2-9,21H,10-16H2,1H3,(H,30,31,32,33);1-5,7-10,21H,6,11-17H2,(H,30,31,32,33);1-8,20H,9-15H2,(H,30,31,32,33);1-9,20H,10-16H2,(H,29,30,31,32).
What are the key properties of N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 2478.15 g/mol, XLogP of 22.99, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylcyclobutyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopentyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-(1-benzylcyclopropyl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;N-[1-[(2-chlorophenyl)methyl]cyclopropyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 159894299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).