2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide

C17H16ClN5O2 — CID 121112722

IUPAC2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1ncn(-c2ncc(NC(=O)COc3ccc(Cl)cc3)cn2)c1C
InChIInChI=1S/C17H16ClN5O2/c1-11-12(2)23(10-21-11)17-19-7-14(8-20-17)22-16(24)9-25-15-5-3-13(18)4-6-15/h3-8,10H,9H2,1-2H3,(H,22,24)
InChIKeyJLATVOBGHBZYPP-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide

2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 121112722) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID121112722
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1ncn(-c2ncc(NC(=O)COc3ccc(Cl)cc3)cn2)c1C
InChIInChI=1S/C17H16ClN5O2/c1-11-12(2)23(10-21-11)17-19-7-14(8-20-17)22-16(24)9-25-15-5-3-13(18)4-6-15/h3-8,10H,9H2,1-2H3,(H,22,24)
InChIKeyJLATVOBGHBZYPP-UHFFFAOYSA-N
XLogP2.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
CID 121112734
2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
CID 121112604
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide
CID 139571625
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 122313542
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748765
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide (CID 121112722) is 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide is Cc1ncn(-c2ncc(NC(=O)COc3ccc(Cl)cc3)cn2)c1C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is JLATVOBGHBZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-11-12(2)23(10-21-11)17-19-7-14(8-20-17)22-16(24)9-25-15-5-3-13(18)4-6-15/h3-8,10H,9H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.95, 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-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 121112722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).