5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

C19H22F3N7O2 — CID 67016240

IUPAC5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(c1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(OCC(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C19H22F3N7O2/c1-29(12-5-3-2-4-6-12)16-26-15(27-18(28-16)31-10-19(20,21)22)23-11-7-8-13-14(9-11)25-17(30)24-13/h7-9,12H,2-6,10H2,1H3,(H2,24,25,30)(H,23,26,27,28)
InChIKeyBGJIUCAYOAKLRW-UHFFFAOYSA-N
MW437.43 g/mol
LogP3.49
Rot. Bonds6

About 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 67016240) has the molecular formula C19H22F3N7O2 and a molecular weight of 437.43 g/mol. Its IUPAC name is 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID67016240
Molecular FormulaC19H22F3N7O2
Molecular Weight437.43 g/mol
Exact Mass437.18
IUPAC Name5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(c1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(OCC(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C19H22F3N7O2/c1-29(12-5-3-2-4-6-12)16-26-15(27-18(28-16)31-10-19(20,21)22)23-11-7-8-13-14(9-11)25-17(30)24-13/h7-9,12H,2-6,10H2,1H3,(H2,24,25,30)(H,23,26,27,28)
InChIKeyBGJIUCAYOAKLRW-UHFFFAOYSA-N
XLogP3.49
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (CID 67016240) is 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is CN(c1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(OCC(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BGJIUCAYOAKLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O2/c1-29(12-5-3-2-4-6-12)16-26-15(27-18(28-16)31-10-19(20,21)22)23-11-7-8-13-14(9-11)25-17(30)24-13/h7-9,12H,2-6,10H2,1H3,(H2,24,25,30)(H,23,26,27,28).
What are the key properties of 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 437.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[cyclohexyl(methyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 67016240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).