4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate

C79H85F6N21O7 — CID 158627695

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate
SMILESC.C.C.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc2ccccc2c1.COC(=O)[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.COC(=O)[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C28H27F2N7O.2C24H23F2N7O3.3CH4/c1-28(2,20-12-11-18-7-3-4-8-19(18)17-20)35-25-32-26(36-13-15-38-16-14-36)34-27(33-25)37-22-10-6-5-9-21(22)31-24(37)23(29)30;2*1-35-21(34)18(15-7-3-2-4-8-15)28-22-29-23(32-11-13-36-14-12-32)31-24(30-22)33-17-10-6-5-9-16(17)27-20(33)19(25)26;;;/h3-12,17,23H,13-16H2,1-2H3,(H,32,33,34,35);2*2-10,18-19H,11-14H2,1H3,(H,28,29,30,31);3*1H4/t;2*18-;;;/m.10.../s1
InChIKeyHYUJDRKXRXPTOD-YJNLTHHFSA-N
MW1554.68 g/mol
LogP14.02
Rot. Bonds20

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate

4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate (PubChem CID 158627695) has the molecular formula C79H85F6N21O7 and a molecular weight of 1554.68 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate
PubChem CID158627695
Molecular FormulaC79H85F6N21O7
Molecular Weight1554.68 g/mol
Exact Mass1553.68
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate
SMILESC.C.C.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc2ccccc2c1.COC(=O)[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.COC(=O)[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C28H27F2N7O.2C24H23F2N7O3.3CH4/c1-28(2,20-12-11-18-7-3-4-8-19(18)17-20)35-25-32-26(36-13-15-38-16-14-36)34-27(33-25)37-22-10-6-5-9-21(22)31-24(37)23(29)30;2*1-35-21(34)18(15-7-3-2-4-8-15)28-22-29-23(32-11-13-36-14-12-32)31-24(30-22)33-17-10-6-5-9-16(17)27-20(33)19(25)26;;;/h3-12,17,23H,13-16H2,1-2H3,(H,32,33,34,35);2*2-10,18-19H,11-14H2,1H3,(H,28,29,30,31);3*1H4/t;2*18-;;;/m.10.../s1
InChIKeyHYUJDRKXRXPTOD-YJNLTHHFSA-N
XLogP14.02
TPSA295.57 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.68
LogP ≤ 514.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 157085322
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine
CID 160528643
(2S)-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 71527008
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570855
4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol
CID 70810466
N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide
CID 67980102
(2S,3S)-2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 71526880
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955443
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 70675193
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]butan-2-one
CID 159700704
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571001

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate (CID 158627695) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate is C.C.C.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc2ccccc2c1.COC(=O)[C@@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.COC(=O)[C@H](Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?
The InChIKey is HYUJDRKXRXPTOD-YJNLTHHFSA-N. The full InChI is InChI=1S/C28H27F2N7O.2C24H23F2N7O3.3CH4/c1-28(2,20-12-11-18-7-3-4-8-19(18)17-20)35-25-32-26(36-13-15-38-16-14-36)34-27(33-25)37-22-10-6-5-9-21(22)31-24(37)23(29)30;2*1-35-21(34)18(15-7-3-2-4-8-15)28-22-29-23(32-11-13-36-14-12-32)31-24(30-22)33-17-10-6-5-9-16(17)27-20(33)19(25)26;;;/h3-12,17,23H,13-16H2,1-2H3,(H,32,33,34,35);2*2-10,18-19H,11-14H2,1H3,(H,28,29,30,31);3*1H4/t;2*18-;;;/m.10.../s1.
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate?
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate has a molecular weight of 1554.68 g/mol, XLogP of 14.02, 20 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(2-naphthalen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine;methane;methyl (2R)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate;methyl (2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-phenylacetate is sourced from PubChem (CID 158627695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).