N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C25H26BrF2N7O — CID 66571706

IUPACN-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1Br)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C25H26BrF2N7O/c1-25(2,15-16-7-3-4-8-17(16)26)33-22-30-23(34-11-13-36-14-12-34)32-24(31-22)35-19-10-6-5-9-18(19)29-21(35)20(27)28/h3-10,20H,11-15H2,1-2H3,(H,30,31,32,33)
InChIKeyNWQHAFUSNMIYIE-UHFFFAOYSA-N
MW558.43 g/mol
LogP5.18
Rot. Bonds7

About N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 66571706) has the molecular formula C25H26BrF2N7O and a molecular weight of 558.43 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID66571706
Molecular FormulaC25H26BrF2N7O
Molecular Weight558.43 g/mol
Exact Mass557.14
IUPAC NameN-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1Br)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C25H26BrF2N7O/c1-25(2,15-16-7-3-4-8-17(16)26)33-22-30-23(34-11-13-36-14-12-34)32-24(31-22)35-19-10-6-5-9-18(19)29-21(35)20(27)28/h3-10,20H,11-15H2,1-2H3,(H,30,31,32,33)
InChIKeyNWQHAFUSNMIYIE-UHFFFAOYSA-N
XLogP5.18
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-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-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 66571706) is N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(C)(Cc1ccccc1Br)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is NWQHAFUSNMIYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrF2N7O/c1-25(2,15-16-7-3-4-8-17(16)26)33-22-30-23(34-11-13-36-14-12-34)32-24(31-22)35-19-10-6-5-9-18(19)29-21(35)20(27)28/h3-10,20H,11-15H2,1-2H3,(H,30,31,32,33).
What are the key properties of N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 558.43 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)-2-methylpropan-2-yl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66571706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).