N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide

C14H15N3O3 — CID 21353683

IUPACN-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nccn2C)c1
InChIInChI=1S/C14H15N3O3/c1-9(18)11-5-4-10(20-3)8-12(11)16-14(19)13-15-6-7-17(13)2/h4-8H,1-3H3,(H,16,19)
InChIKeyCLAUGNSPFRIYRY-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.88
Rot. Bonds4

About N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide

N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide (PubChem CID 21353683) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide
PubChem CID21353683
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nccn2C)c1
InChIInChI=1S/C14H15N3O3/c1-9(18)11-5-4-10(20-3)8-12(11)16-14(19)13-15-6-7-17(13)2/h4-8H,1-3H3,(H,16,19)
InChIKeyCLAUGNSPFRIYRY-UHFFFAOYSA-N
XLogP1.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide (CID 21353683) is N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide is COc1ccc(C(C)=O)c(NC(=O)c2nccn2C)c1.
What is the InChIKey of N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The InChIKey is CLAUGNSPFRIYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(18)11-5-4-10(20-3)8-12(11)16-14(19)13-15-6-7-17(13)2/h4-8H,1-3H3,(H,16,19).
What are the key properties of N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide?
N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-methoxyphenyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 21353683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).