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

C25H30F2N10O3 — CID 66870672

IUPAC4-[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
SMILESCOc1cccc2c1nc(C(F)F)n2-c1nc(Nc2cnn(CCN3CCOCC3)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H30F2N10O3/c1-38-19-4-2-3-18-20(19)30-22(21(26)27)37(18)25-32-23(31-24(33-25)35-9-13-40-14-10-35)29-17-15-28-36(16-17)6-5-34-7-11-39-12-8-34/h2-4,15-16,21H,5-14H2,1H3,(H,29,31,32,33)
InChIKeyFDUYEEJUBVNTRB-UHFFFAOYSA-N
MW556.58 g/mol
LogP2.27
Rot. Bonds9

About 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

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 (PubChem CID 66870672) has the molecular formula C25H30F2N10O3 and a molecular weight of 556.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID66870672
Molecular FormulaC25H30F2N10O3
Molecular Weight556.58 g/mol
Exact Mass556.25
IUPAC Name4-[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
SMILESCOc1cccc2c1nc(C(F)F)n2-c1nc(Nc2cnn(CCN3CCOCC3)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H30F2N10O3/c1-38-19-4-2-3-18-20(19)30-22(21(26)27)37(18)25-32-23(31-24(33-25)35-9-13-40-14-10-35)29-17-15-28-36(16-17)6-5-34-7-11-39-12-8-34/h2-4,15-16,21H,5-14H2,1H3,(H,29,31,32,33)
InChIKeyFDUYEEJUBVNTRB-UHFFFAOYSA-N
XLogP2.27
TPSA120.51 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.58
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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
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
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-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
CID 67527929
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 66698095
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66854108
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 53488104
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
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 46917286
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
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
2-[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]oxyethanol
CID 67546089

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc2c1nc(C(F)F)n2-c1nc(Nc2cnn(CCN3CCOCC3)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 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?
The InChIKey is FDUYEEJUBVNTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N10O3/c1-38-19-4-2-3-18-20(19)30-22(21(26)27)37(18)25-32-23(31-24(33-25)35-9-13-40-14-10-35)29-17-15-28-36(16-17)6-5-34-7-11-39-12-8-34/h2-4,15-16,21H,5-14H2,1H3,(H,29,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 556.58 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66870672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).