N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide

C24H30F2N8O3 — CID 67980102

IUPACN-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
InChIInChI=1S/C24H30F2N8O3/c1-36-14-19(35)27-15-6-8-16(9-7-15)28-22-30-23(33-10-12-37-13-11-33)32-24(31-22)34-18-5-3-2-4-17(18)29-21(34)20(25)26/h2-5,15-16,20H,6-14H2,1H3,(H,27,35)(H,28,30,31,32)
InChIKeyYPENJZBHKWBFPJ-UHFFFAOYSA-N
MW516.55 g/mol
LogP2.47
Rot. Bonds8

About N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide

N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide (PubChem CID 67980102) has the molecular formula C24H30F2N8O3 and a molecular weight of 516.55 g/mol. Its IUPAC name is N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide
PubChem CID67980102
Molecular FormulaC24H30F2N8O3
Molecular Weight516.55 g/mol
Exact Mass516.24
IUPAC NameN-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
InChIInChI=1S/C24H30F2N8O3/c1-36-14-19(35)27-15-6-8-16(9-7-15)28-22-30-23(33-10-12-37-13-11-33)32-24(31-22)34-18-5-3-2-4-17(18)29-21(34)20(25)26/h2-5,15-16,20H,6-14H2,1H3,(H,27,35)(H,28,30,31,32)
InChIKeyYPENJZBHKWBFPJ-UHFFFAOYSA-N
XLogP2.47
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide (CID 67980102) is N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide is COCC(=O)NC1CCC(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.
What is the InChIKey of N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide?
The InChIKey is YPENJZBHKWBFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N8O3/c1-36-14-19(35)27-15-6-8-16(9-7-15)28-22-30-23(33-10-12-37-13-11-33)32-24(31-22)34-18-5-3-2-4-17(18)29-21(34)20(25)26/h2-5,15-16,20H,6-14H2,1H3,(H,27,35)(H,28,30,31,32).
What are the key properties of N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide?
N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide has a molecular weight of 516.55 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide is sourced from PubChem (CID 67980102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).