N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine

C17H20F2N8O — CID 139340216

IUPACN'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C17H20F2N8O/c18-13(19)14-22-11-3-1-2-4-12(11)27(14)17-24-15(21-6-5-20)23-16(25-17)26-7-9-28-10-8-26/h1-4,13H,5-10,20H2,(H,21,23,24,25)
InChIKeyVWUNQWRJOLMIGW-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.36
Rot. Bonds6

About N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine

N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine (PubChem CID 139340216) has the molecular formula C17H20F2N8O and a molecular weight of 390.40 g/mol. Its IUPAC name is N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
PubChem CID139340216
Molecular FormulaC17H20F2N8O
Molecular Weight390.40 g/mol
Exact Mass390.17
IUPAC NameN'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C17H20F2N8O/c18-13(19)14-22-11-3-1-2-4-12(11)27(14)17-24-15(21-6-5-20)23-16(25-17)26-7-9-28-10-8-26/h1-4,13H,5-10,20H2,(H,21,23,24,25)
InChIKeyVWUNQWRJOLMIGW-UHFFFAOYSA-N
XLogP1.36
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine (CID 139340216) is N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine is NCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The InChIKey is VWUNQWRJOLMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N8O/c18-13(19)14-22-11-3-1-2-4-12(11)27(14)17-24-15(21-6-5-20)23-16(25-17)26-7-9-28-10-8-26/h1-4,13H,5-10,20H2,(H,21,23,24,25).
What are the key properties of N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine?
N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine has a molecular weight of 390.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 139340216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).