2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide

C20H23N5O2 — CID 122301385

IUPAC2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc1C
InChIInChI=1S/C20H23N5O2/c1-12-8-16(6-7-18(12)27-5)9-19(26)24-17-10-21-20(22-11-17)25-14(3)13(2)23-15(25)4/h6-8,10-11H,9H2,1-5H3,(H,24,26)
InChIKeyXBJKSBIMERKPBU-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide

2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122301385) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122301385
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc1C
InChIInChI=1S/C20H23N5O2/c1-12-8-16(6-7-18(12)27-5)9-19(26)24-17-10-21-20(22-11-17)25-14(3)13(2)23-15(25)4/h6-8,10-11H,9H2,1-5H3,(H,24,26)
InChIKeyXBJKSBIMERKPBU-UHFFFAOYSA-N
XLogP3.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301081
2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299176
2-(3-methoxyphenoxy)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301312
3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301377
2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide
CID 122301434
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482
N-(3,5-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848483
2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112540
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
N-[2-(2-methyl-4-oxoquinazolin-3-yl)pyrimidin-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 171649510
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 122356063
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide (CID 122301385) is 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide is COc1ccc(CC(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is XBJKSBIMERKPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-8-16(6-7-18(12)27-5)9-19(26)24-17-10-21-20(22-11-17)25-14(3)13(2)23-15(25)4/h6-8,10-11H,9H2,1-5H3,(H,24,26).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide?
2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122301385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).