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

C18H17Cl2N3O2 — CID 13189171

IUPAC[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN=C2Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O2/c1-2-25-13-8-6-12(7-9-13)17(24)23-11-10-21-18(23)22-16-14(19)4-3-5-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyDTOGWPLKDJTWGQ-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.32
Rot. Bonds4

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

[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 13189171) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID13189171
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN=C2Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O2/c1-2-25-13-8-6-12(7-9-13)17(24)23-11-10-21-18(23)22-16-14(19)4-3-5-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyDTOGWPLKDJTWGQ-UHFFFAOYSA-N
XLogP4.32
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[2-(2,3-dichloroanilino)-4,5-dihydroimidazol-1-yl]methanone
CID 13189163
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 50880133
N-[(2,6-dichlorophenyl)carbamothioyl]-4-ethoxybenzamide
CID 54785843
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 7539538
[2-(4-amino-2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-[2-[(dihydroxyamino)oxymethyl]phenyl]methanone
CID 89030737
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
(4-ethoxyphenyl)-pyrazol-1-ylmethanone
CID 3502430
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide
CID 35755059

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone (CID 13189171) is [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN=C2Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is DTOGWPLKDJTWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-2-25-13-8-6-12(7-9-13)17(24)23-11-10-21-18(23)22-16-14(19)4-3-5-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,22).
What are the key properties of [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone?
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 378.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 13189171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).