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

C16H13Cl2N3O — CID 23465952

IUPAC[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O/c17-12-6-7-14(13(18)10-12)20-16-19-8-9-21(16)15(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)
InChIKeyITDOODXWMUVAHN-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.92
Rot. Bonds2

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

[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone (PubChem CID 23465952) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
PubChem CID23465952
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O/c17-12-6-7-14(13(18)10-12)20-16-19-8-9-21(16)15(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)
InChIKeyITDOODXWMUVAHN-UHFFFAOYSA-N
XLogP3.92
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[2-(2,3-dichloroanilino)-4,5-dihydroimidazol-1-yl]methanone
CID 13189163
1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]butan-1-one
CID 23465988
ethyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
CID 23465964
2-methylpropyl 2-(2,4-dichloroanilino)-4,5-dihydroimidazole-1-carboxylate
CID 54425824
1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]nonan-1-one
CID 23465963
[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 170694561
1-[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]propan-2-one;hydrobromide
CID 13370376
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
CID 13189171
1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea
CID 92519812
[2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 23460034
(4-chlorophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5076105
5-(2,4-dichloroanilino)furan-2-carboxylic acid
CID 62204584

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The IUPAC name of [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone (CID 23465952) is [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN=C1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The InChIKey is ITDOODXWMUVAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-12-6-7-14(13(18)10-12)20-16-19-8-9-21(16)15(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone has a molecular weight of 334.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 23465952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).