1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone

C23H24F3N3O2 — CID 67101968

IUPAC1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone
SMILESCC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C23H24F3N3O2/c1-14-17(5-4-6-20(14)23(24,25)26)13-29-16(3)27-22-19(15(2)30)11-18(12-21(22)29)28-7-9-31-10-8-28/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyJLOYSMNRPOTDAA-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.76
Rot. Bonds4

About 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone

1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone (PubChem CID 67101968) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone
PubChem CID67101968
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone
SMILESCC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C23H24F3N3O2/c1-14-17(5-4-6-20(14)23(24,25)26)13-29-16(3)27-22-19(15(2)30)11-18(12-21(22)29)28-7-9-31-10-8-28/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyJLOYSMNRPOTDAA-UHFFFAOYSA-N
XLogP4.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone?
The IUPAC name of 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone (CID 67101968) is 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone?
The canonical SMILES for 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone is CC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2Cc1cccc(C(F)(F)F)c1C.
What is the InChIKey of 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone?
The InChIKey is JLOYSMNRPOTDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-14-17(5-4-6-20(14)23(24,25)26)13-29-16(3)27-22-19(15(2)30)11-18(12-21(22)29)28-7-9-31-10-8-28/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone?
1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone has a molecular weight of 431.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone is sourced from PubChem (CID 67101968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).