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

C26H29F2N7O — CID 66570855

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C26H29F2N7O/c1-17-8-4-5-9-18(17)16-26(2,3)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-11-7-6-10-19(20)29-22(35)21(27)28/h4-11,21H,12-16H2,1-3H3,(H,30,31,32,33)
InChIKeyRMKXVEDECOOOEB-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.73
Rot. Bonds7

About 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

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 (PubChem CID 66570855) has the molecular formula C26H29F2N7O and a molecular weight of 493.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID66570855
Molecular FormulaC26H29F2N7O
Molecular Weight493.56 g/mol
Exact Mass493.24
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C26H29F2N7O/c1-17-8-4-5-9-18(17)16-26(2,3)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-11-7-6-10-19(20)29-22(35)21(27)28/h4-11,21H,12-16H2,1-3H3,(H,30,31,32,33)
InChIKeyRMKXVEDECOOOEB-UHFFFAOYSA-N
XLogP4.73
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 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?
The InChIKey is RMKXVEDECOOOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O/c1-17-8-4-5-9-18(17)16-26(2,3)33-23-30-24(34-12-14-36-15-13-34)32-25(31-23)35-20-11-7-6-10-19(20)29-22(35)21(27)28/h4-11,21H,12-16H2,1-3H3,(H,30,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 493.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66570855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).