2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide

C15H12ClN5O2 — CID 121112604

IUPAC2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C15H12ClN5O2/c16-11-1-3-13(4-2-11)23-9-14(22)20-12-7-18-15(19-8-12)21-6-5-17-10-21/h1-8,10H,9H2,(H,20,22)
InChIKeySACPOYTZPWRGDM-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.33
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide

2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide (PubChem CID 121112604) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
PubChem CID121112604
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C15H12ClN5O2/c16-11-1-3-13(4-2-11)23-9-14(22)20-12-7-18-15(19-8-12)21-6-5-17-10-21/h1-8,10H,9H2,(H,20,22)
InChIKeySACPOYTZPWRGDM-UHFFFAOYSA-N
XLogP2.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112722
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
2-(4-imidazol-1-ylphenoxy)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 86304415
N-(6-imidazol-1-yl-3-pyridinyl)-2-(3-methoxyphenoxy)acetamide
CID 90564820
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 110442677
2-(4-chlorophenoxy)-N-[6-(cyclohexylamino)-3-pyridinyl]acetamide
CID 113010077
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide (CID 121112604) is 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1cnc(-n2ccnc2)nc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is SACPOYTZPWRGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-11-1-3-13(4-2-11)23-9-14(22)20-12-7-18-15(19-8-12)21-6-5-17-10-21/h1-8,10H,9H2,(H,20,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 329.75 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 121112604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).