4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane

C120H137F8N31O5 — CID 159734836

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane
SMILESC.C.CC(C)(Cc1ccccc1-c1ccccc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCC(Nc2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)C1.COc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)ccn1.Cc1cccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1
InChIInChI=1S/C31H32F2N8O2.C31H31F2N7O.C30H37F2N9O.C26H29F2N7O.2CH4/c1-31(2,19-21-8-4-5-9-22(21)20-12-13-34-25(18-20)42-3)39-28-36-29(40-14-16-43-17-15-40)38-30(37-28)41-24-11-7-6-10-23(24)35-27(41)26(32)33;1-31(2,20-22-12-6-7-13-23(22)21-10-4-3-5-11-21)38-28-35-29(39-16-18-41-19-17-39)37-30(36-28)40-25-15-9-8-14-24(25)34-27(40)26(32)33;1-30(2,18-20-8-4-5-9-22(20)33-21-12-13-39(3)19-21)38-27-35-28(40-14-16-42-17-15-40)37-29(36-27)41-24-11-7-6-10-23(24)34-26(41)25(31)32;1-17-7-6-8-18(15-17)16-26(2,3)33-23-30-24(34-11-13-36-14-12-34)32-25(31-23)35-20-10-5-4-9-19(20)29-22(35)21(27)28;;/h4-13,18,26H,14-17,19H2,1-3H3,(H,36,37,38,39);3-15,26H,16-20H2,1-2H3,(H,35,36,37,38);4-11,21,25,33H,12-19H2,1-3H3,(H,35,36,37,38);4-10,15,21H,11-14,16H2,1-3H3,(H,30,31,32,33);2*1H4
InChIKeyNBRWOIIURXJOFJ-UHFFFAOYSA-N
MW2245.61 g/mol
LogP22.11
Rot. Bonds33

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane (PubChem CID 159734836) has the molecular formula C120H137F8N31O5 and a molecular weight of 2245.61 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane
PubChem CID159734836
Molecular FormulaC120H137F8N31O5
Molecular Weight2245.61 g/mol
Exact Mass2244.13
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane
SMILESC.C.CC(C)(Cc1ccccc1-c1ccccc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCC(Nc2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)C1.COc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)ccn1.Cc1cccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1
InChIInChI=1S/C31H32F2N8O2.C31H31F2N7O.C30H37F2N9O.C26H29F2N7O.2CH4/c1-31(2,19-21-8-4-5-9-22(21)20-12-13-34-25(18-20)42-3)39-28-36-29(40-14-16-43-17-15-40)38-30(37-28)41-24-11-7-6-10-23(24)35-27(41)26(32)33;1-31(2,20-22-12-6-7-13-23(22)21-10-4-3-5-11-21)38-28-35-29(39-16-18-41-19-17-39)37-30(36-28)40-25-15-9-8-14-24(25)34-27(40)26(32)33;1-30(2,18-20-8-4-5-9-22(20)33-21-12-13-39(3)19-21)38-27-35-28(40-14-16-42-17-15-40)37-29(36-27)41-24-11-7-6-10-23(24)34-26(41)25(31)32;1-17-7-6-8-18(15-17)16-26(2,3)33-23-30-24(34-11-13-36-14-12-34)32-25(31-23)35-20-10-5-4-9-19(20)29-22(35)21(27)28;;/h4-13,18,26H,14-17,19H2,1-3H3,(H,36,37,38,39);3-15,26H,16-20H2,1-2H3,(H,35,36,37,38);4-11,21,25,33H,12-19H2,1-3H3,(H,35,36,37,38);4-10,15,21H,11-14,16H2,1-3H3,(H,30,31,32,33);2*1H4
InChIKeyNBRWOIIURXJOFJ-UHFFFAOYSA-N
XLogP22.11
TPSA361.35 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002245.61
LogP ≤ 522.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane (CID 159734836) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane is C.C.CC(C)(Cc1ccccc1-c1ccccc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCC(Nc2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)C1.COc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)ccn1.Cc1cccc(CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?
The InChIKey is NBRWOIIURXJOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N8O2.C31H31F2N7O.C30H37F2N9O.C26H29F2N7O.2CH4/c1-31(2,19-21-8-4-5-9-22(21)20-12-13-34-25(18-20)42-3)39-28-36-29(40-14-16-43-17-15-40)38-30(37-28)41-24-11-7-6-10-23(24)35-27(41)26(32)33;1-31(2,20-22-12-6-7-13-23(22)21-10-4-3-5-11-21)38-28-35-29(39-16-18-41-19-17-39)37-30(36-28)40-25-15-9-8-14-24(25)34-27(40)26(32)33;1-30(2,18-20-8-4-5-9-22(20)33-21-12-13-39(3)19-21)38-27-35-28(40-14-16-42-17-15-40)37-29(36-27)41-24-11-7-6-10-23(24)34-26(41)25(31)32;1-17-7-6-8-18(15-17)16-26(2,3)33-23-30-24(34-11-13-36-14-12-34)32-25(31-23)35-20-10-5-4-9-19(20)29-22(35)21(27)28;;/h4-13,18,26H,14-17,19H2,1-3H3,(H,36,37,38,39);3-15,26H,16-20H2,1-2H3,(H,35,36,37,38);4-11,21,25,33H,12-19H2,1-3H3,(H,35,36,37,38);4-10,15,21H,11-14,16H2,1-3H3,(H,30,31,32,33);2*1H4.
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane has a molecular weight of 2245.61 g/mol, XLogP of 22.11, 33 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(3-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[(1-methylpyrrolidin-3-yl)amino]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-phenylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;methane is sourced from PubChem (CID 159734836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).