5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one

C10H10F3N3O — CID 115257804

IUPAC5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H10F3N3O/c1-16(5-10(11,12)13)6-2-3-7-8(4-6)15-9(17)14-7/h2-4H,5H2,1H3,(H2,14,15,17)
InChIKeyYOXUSQBWUFCVPI-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.85
Rot. Bonds2

About 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one

5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115257804) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID115257804
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H10F3N3O/c1-16(5-10(11,12)13)6-2-3-7-8(4-6)15-9(17)14-7/h2-4H,5H2,1H3,(H2,14,15,17)
InChIKeyYOXUSQBWUFCVPI-UHFFFAOYSA-N
XLogP1.85
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 82494084
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136
5-(didodecylamino)-1,3-dihydrobenzimidazol-2-one
CID 52913034
5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115245729
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115168271
2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115178687
2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115175053
N,2-dimethyl-2-(methylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115165676
methyl 3-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-oxopropanoate
CID 115174253
5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115132846
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 115257804) is 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one is CN(CC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YOXUSQBWUFCVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-16(5-10(11,12)13)6-2-3-7-8(4-6)15-9(17)14-7/h2-4H,5H2,1H3,(H2,14,15,17).
What are the key properties of 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115257804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).