2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide

C18H17Cl2N3O2S — CID 108729312

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C18H17Cl2N3O2S/c1-11(25-15-5-4-12(19)9-13(15)20)18(24)21-7-6-14-17(23-10-22-14)16-3-2-8-26-16/h2-5,8-11H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyXJSDTMJSLTVCNI-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.57
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide

2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 108729312) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide
PubChem CID108729312
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C18H17Cl2N3O2S/c1-11(25-15-5-4-12(19)9-13(15)20)18(24)21-7-6-14-17(23-10-22-14)16-3-2-8-26-16/h2-5,8-11H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyXJSDTMJSLTVCNI-UHFFFAOYSA-N
XLogP4.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide
CID 60967358
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 108753135
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 119033150
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 100647396

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide (CID 108729312) is 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCc1[nH]cnc1-c1cccs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is XJSDTMJSLTVCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c1-11(25-15-5-4-12(19)9-13(15)20)18(24)21-7-6-14-17(23-10-22-14)16-3-2-8-26-16/h2-5,8-11H,6-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 410.33 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 108729312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).