2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide

C12H13N3O2 — CID 110684174

IUPAC2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2cnc[nH]2)c1
InChIInChI=1S/C12H13N3O2/c1-17-11-4-2-3-9(5-11)15-12(16)6-10-7-13-8-14-10/h2-5,7-8H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeySCILVHCYLOGOEH-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.60
Rot. Bonds4

About 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide

2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 110684174) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID110684174
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2cnc[nH]2)c1
InChIInChI=1S/C12H13N3O2/c1-17-11-4-2-3-9(5-11)15-12(16)6-10-7-13-8-14-10/h2-5,7-8H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeySCILVHCYLOGOEH-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-[3-(1H-imidazol-5-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 110668610
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
N-(3-methoxyphenyl)-3-oxopropanamide;tungsten
CID 155694701
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(3-methoxyphenyl)carbamimidoyl]benzamide
CID 91310412
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
2-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)acetamide
CID 56920709
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide (CID 110684174) is 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cc2cnc[nH]2)c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is SCILVHCYLOGOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-11-4-2-3-9(5-11)15-12(16)6-10-7-13-8-14-10/h2-5,7-8H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide?
2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 110684174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).