1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide

C12H14BrCl2N3O — CID 13370376

IUPAC1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide
SMILESBr.CC(=O)CN1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3O.BrH/c1-8(18)7-17-5-4-15-12(17)16-11-3-2-9(13)6-10(11)14;/h2-3,6H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyIABXFFOXFXDZLM-UHFFFAOYSA-N
MW367.07 g/mol
LogP3.24
Rot. Bonds3

About 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide

1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide (PubChem CID 13370376) has the molecular formula C12H14BrCl2N3O and a molecular weight of 367.07 g/mol. Its IUPAC name is 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide.

Molecular Properties

Compound Name1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide
PubChem CID13370376
Molecular FormulaC12H14BrCl2N3O
Molecular Weight367.07 g/mol
Exact Mass364.97
IUPAC Name1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide
SMILESBr.CC(=O)CN1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3O.BrH/c1-8(18)7-17-5-4-15-12(17)16-11-3-2-9(13)6-10(11)14;/h2-3,6H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyIABXFFOXFXDZLM-UHFFFAOYSA-N
XLogP3.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.07
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
CID 23465964
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-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
CID 54425824
[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 23465952
1-[4-[2-(2,4-dichloroanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914949
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide
CID 7067086
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467411
4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
CID 70952158
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
(2S)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 8717156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide?
The IUPAC name of 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide (CID 13370376) is 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide.
What is the SMILES notation for 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide?
The canonical SMILES for 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide is Br.CC(=O)CN1CCN=C1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide?
The InChIKey is IABXFFOXFXDZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O.BrH/c1-8(18)7-17-5-4-15-12(17)16-11-3-2-9(13)6-10(11)14;/h2-3,6H,4-5,7H2,1H3,(H,15,16);1H.
What are the key properties of 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide?
1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide has a molecular weight of 367.07 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide is sourced from PubChem (CID 13370376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).