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

C18H19N5O2 — CID 122301081

IUPAC2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-n3ccnc3C)nc2)cc1C
InChIInChI=1S/C18H19N5O2/c1-12-8-14(4-5-16(12)25-3)9-17(24)22-15-10-20-18(21-11-15)23-7-6-19-13(23)2/h4-8,10-11H,9H2,1-3H3,(H,22,24)
InChIKeyVFYJBZMIPBPBLZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.47
Rot. Bonds5

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

2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122301081) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122301081
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-n3ccnc3C)nc2)cc1C
InChIInChI=1S/C18H19N5O2/c1-12-8-14(4-5-16(12)25-3)9-17(24)22-15-10-20-18(21-11-15)23-7-6-19-13(23)2/h4-8,10-11H,9H2,1-3H3,(H,22,24)
InChIKeyVFYJBZMIPBPBLZ-UHFFFAOYSA-N
XLogP2.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301385
2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299176
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301058
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112630
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482
N-(3,5-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848483
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
CID 121112648
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486
(E)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 122301006
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301003

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide (CID 122301081) is 2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide is COc1ccc(CC(=O)Nc2cnc(-n3ccnc3C)nc2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is VFYJBZMIPBPBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-8-14(4-5-16(12)25-3)9-17(24)22-15-10-20-18(21-11-15)23-7-6-19-13(23)2/h4-8,10-11H,9H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.47, 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-methylimidazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122301081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).