ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate

C12H13Cl2N3O2 — CID 23465964

IUPACethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-2-19-12(18)17-6-5-15-11(17)16-10-4-3-8(13)7-9(10)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyOGVXRIXTFXZGEJ-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.23
Rot. Bonds2

About ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate

ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 23465964) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
PubChem CID23465964
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Nameethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-2-19-12(18)17-6-5-15-11(17)16-10-4-3-8(13)7-9(10)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyOGVXRIXTFXZGEJ-UHFFFAOYSA-N
XLogP3.23
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
CID 54425824
1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]butan-1-one
CID 23465988
1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one
CID 23465963
[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 23465952
1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide
CID 13370376
ethyl 4-[2-(2,4-dichloroanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108502954
ethyl 4-[3-(2,4-dichloroanilino)propanoyl]piperazine-1-carboxylate
CID 109029107
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
ethyl 2-[[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19149867
ethyl 2-amino-5-(2,4-dichloroanilino)benzoate
CID 63425547
(4-chlorophenyl)-[2-(2,3-dichloroanilino)-4,5-dihydroimidazol-1-yl]methanone
CID 13189163
N-(2,4-dichlorophenyl)propanamide
CID 923083

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate (CID 23465964) is ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate is CCOC(=O)N1CCN=C1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is OGVXRIXTFXZGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-2-19-12(18)17-6-5-15-11(17)16-10-4-3-8(13)7-9(10)14/h3-4,7H,2,5-6H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate?
ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 302.16 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 23465964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).