1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C18H24F3N3O — CID 46882051

IUPAC1-[2-(azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESC1CCCN(CC1)CCN2CCN(C2=O)C3=CC=CC(=C3)C(F)(F)F
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)15-6-5-7-16(14-15)24-13-12-23(17(24)25)11-10-22-8-3-1-2-4-9-22/h5-7,14H,1-4,8-13H2
InChIKeyGPOXSHFDBBJUJR-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.20
Rot. Bonds4

About 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 46882051) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID46882051
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name1-[2-(azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESC1CCCN(CC1)CCN2CCN(C2=O)C3=CC=CC(=C3)C(F)(F)F
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)15-6-5-7-16(14-15)24-13-12-23(17(24)25)11-10-22-8-3-1-2-4-9-22/h5-7,14H,1-4,8-13H2
InChIKeyGPOXSHFDBBJUJR-UHFFFAOYSA-N
XLogP3.20
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity449

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Fluometuron
CID 16562
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
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N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 2987636
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-trifluoromethyl-phenyl)-imidazolidin-2-one
CID 10545037
N,N-Dibenzyl-N'-[3-(trifluoromethyl)phenyl]urea
CID 310453
8K5G4U34CU
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C2Pjp69bqr
CID 44622882
1-(3-Iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 45269020
1-(Piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 46881466
1-[2-(Azepan-1-yl)ethyl]-3-phenylimidazolidin-2-one
CID 46882052
1-[2-(Azepan-1-yl)ethyl]-3-(3-fluorophenyl)imidazolidin-2-one
CID 46882053
1-(4-fluorobenzyl)-3-(4-fluorophenyl)tetrahydro-2H-imidazol-2-one
CID 4205196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 46882051) is 1-[2-(azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is C1CCCN(CC1)CCN2CCN(C2=O)C3=CC=CC(=C3)C(F)(F)F.
What is the InChIKey of 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is GPOXSHFDBBJUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c19-18(20,21)15-6-5-7-16(14-15)24-13-12-23(17(24)25)11-10-22-8-3-1-2-4-9-22/h5-7,14H,1-4,8-13H2.
What are the key properties of 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 355.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 46882051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).