[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate

C11H8Cl2F3N3O2 — CID 155716510

IUPAC[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCN=C1Nc1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C11H8Cl2F3N3O2/c12-6-2-1-3-7(13)8(6)18-10-17-4-5-19(10)21-9(20)11(14,15)16/h1-3H,4-5H2,(H,17,18)
InChIKeyFCOHYRWJIDZXIN-UHFFFAOYSA-N
MW342.10 g/mol
LogP3.10
Rot. Bonds2

About [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate

[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate (PubChem CID 155716510) has the molecular formula C11H8Cl2F3N3O2 and a molecular weight of 342.10 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate
PubChem CID155716510
Molecular FormulaC11H8Cl2F3N3O2
Molecular Weight342.10 g/mol
Exact Mass340.99
IUPAC Name[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCN=C1Nc1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C11H8Cl2F3N3O2/c12-6-2-1-3-7(13)8(6)18-10-17-4-5-19(10)21-9(20)11(14,15)16/h1-3H,4-5H2,(H,17,18)
InChIKeyFCOHYRWJIDZXIN-UHFFFAOYSA-N
XLogP3.10
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide
CID 70548419
N-(2,6-dichlorophenyl)-1-[(1-hydroxy-4-methyl-2H-pyridin-6-yl)methoxy]-4,5-dihydroimidazol-2-amine
CID 173421195
N-(2,6-dichlorophenyl)-1-[(4-methyl-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine
CID 56610280
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
CID 13189171
N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine
CID 70567872
4-(2,6-dichloroanilino)benzoic acid
CID 65499202
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
N-(2,6-diethylphenyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 20513874
[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 170694561
N-(2,6-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
CID 3109818
(2S)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 7111788
3-(2,6-dichloroanilino)benzoic acid
CID 56930861

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate (CID 155716510) is [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CCN=C1Nc1c(Cl)cccc1Cl)C(F)(F)F.
What is the InChIKey of [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is FCOHYRWJIDZXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3O2/c12-6-2-1-3-7(13)8(6)18-10-17-4-5-19(10)21-9(20)11(14,15)16/h1-3H,4-5H2,(H,17,18).
What are the key properties of [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate?
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 342.10 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 155716510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).