4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine

C22H28F2N8O2 — CID 66698095

IUPAC4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1cccc2c1nc(C(F)F)n2-c1nc(NCC2CCNCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H28F2N8O2/c1-33-16-4-2-3-15-17(16)27-19(18(23)24)32(15)22-29-20(26-13-14-5-7-25-8-6-14)28-21(30-22)31-9-11-34-12-10-31/h2-4,14,18,25H,5-13H2,1H3,(H,26,28,29,30)
InChIKeyPIBSQBIIKOONTC-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.40
Rot. Bonds7

About 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine

4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 66698095) has the molecular formula C22H28F2N8O2 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID66698095
Molecular FormulaC22H28F2N8O2
Molecular Weight474.52 g/mol
Exact Mass474.23
IUPAC Name4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1cccc2c1nc(C(F)F)n2-c1nc(NCC2CCNCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H28F2N8O2/c1-33-16-4-2-3-15-17(16)27-19(18(23)24)32(15)22-29-20(26-13-14-5-7-25-8-6-14)28-21(30-22)31-9-11-34-12-10-31/h2-4,14,18,25H,5-13H2,1H3,(H,26,28,29,30)
InChIKeyPIBSQBIIKOONTC-UHFFFAOYSA-N
XLogP2.40
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
CID 67527929
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 53488104
tert-butyl N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamate
CID 66698068
N-chloro-N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]methanesulfonamide
CID 87113969
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine
CID 66870672
2-chloro-N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide
CID 90763950
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-(6-methoxypyrazin-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66853813
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 159534428
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-(2-iodo-1-methylsulfonylazetidin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 118305889
5-N-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,5-diamine
CID 123704868
tert-butyl 3-[[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]azetidine-1-carboxylate
CID 67543613
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66852298

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine (CID 66698095) is 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine is COc1cccc2c1nc(C(F)F)n2-c1nc(NCC2CCNCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is PIBSQBIIKOONTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N8O2/c1-33-16-4-2-3-15-17(16)27-19(18(23)24)32(15)22-29-20(26-13-14-5-7-25-8-6-14)28-21(30-22)31-9-11-34-12-10-31/h2-4,14,18,25H,5-13H2,1H3,(H,26,28,29,30).
What are the key properties of 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 474.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 66698095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).