2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine

C21H26F2N8O2 — CID 56595547

IUPAC2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine
SMILESCN(C)c1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H26F2N8O2/c1-28(2)14-4-3-5-15-16(14)24-18(17(22)23)31(15)21-26-19(29-6-10-32-11-7-29)25-20(27-21)30-8-12-33-13-9-30/h3-5,17H,6-13H2,1-2H3
InChIKeyGKVKRSVCMPUKHR-UHFFFAOYSA-N
MW460.49 g/mol
LogP1.89
Rot. Bonds5

About 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine

2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine (PubChem CID 56595547) has the molecular formula C21H26F2N8O2 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine
PubChem CID56595547
Molecular FormulaC21H26F2N8O2
Molecular Weight460.49 g/mol
Exact Mass460.21
IUPAC Name2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine
SMILESCN(C)c1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H26F2N8O2/c1-28(2)14-4-3-5-15-16(14)24-18(17(22)23)31(15)21-26-19(29-6-10-32-11-7-29)25-20(27-21)30-8-12-33-13-9-30/h3-5,17H,6-13H2,1-2H3
InChIKeyGKVKRSVCMPUKHR-UHFFFAOYSA-N
XLogP1.89
TPSA84.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine?
The IUPAC name of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine (CID 56595547) is 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine?
The canonical SMILES for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine is CN(C)c1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine?
The InChIKey is GKVKRSVCMPUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N8O2/c1-28(2)14-4-3-5-15-16(14)24-18(17(22)23)31(15)21-26-19(29-6-10-32-11-7-29)25-20(27-21)30-8-12-33-13-9-30/h3-5,17H,6-13H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine?
2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine has a molecular weight of 460.49 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylbenzimidazol-4-amine is sourced from PubChem (CID 56595547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).