N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide

C13H14N4O3 — CID 81258005

IUPACN-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)n1ccnc1
InChIInChI=1S/C13H14N4O3/c1-9(18)15-10-3-4-12(20-2)11(7-10)16-13(19)17-6-5-14-8-17/h3-8H,1-2H3,(H,15,18)(H,16,19)
InChIKeyYSHCHARGDZIZHY-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.93
Rot. Bonds3

About N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide

N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide (PubChem CID 81258005) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
PubChem CID81258005
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)n1ccnc1
InChIInChI=1S/C13H14N4O3/c1-9(18)15-10-3-4-12(20-2)11(7-10)16-13(19)17-6-5-14-8-17/h3-8H,1-2H3,(H,15,18)(H,16,19)
InChIKeyYSHCHARGDZIZHY-UHFFFAOYSA-N
XLogP1.93
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide
CID 81257098
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 86987887
N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
CID 81257482
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543
N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968
N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079674

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide (CID 81258005) is N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)n1ccnc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide?
The InChIKey is YSHCHARGDZIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9(18)15-10-3-4-12(20-2)11(7-10)16-13(19)17-6-5-14-8-17/h3-8H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide?
N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81258005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).