2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide

C12H12ClN3O — CID 167067120

IUPAC2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(CC(N)=O)c2)c(Cl)[nH]1
InChIInChI=1S/C12H12ClN3O/c1-7-15-11(12(13)16-7)9-4-2-3-8(5-9)6-10(14)17/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)
InChIKeyWJSYQSGPNJMYRT-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.07
Rot. Bonds3

About 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide

2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide (PubChem CID 167067120) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide
PubChem CID167067120
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(CC(N)=O)c2)c(Cl)[nH]1
InChIInChI=1S/C12H12ClN3O/c1-7-15-11(12(13)16-7)9-4-2-3-8(5-9)6-10(14)17/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)
InChIKeyWJSYQSGPNJMYRT-UHFFFAOYSA-N
XLogP2.07
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide (CID 167067120) is 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(CC(N)=O)c2)c(Cl)[nH]1.
What is the InChIKey of 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide?
The InChIKey is WJSYQSGPNJMYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-15-11(12(13)16-7)9-4-2-3-8(5-9)6-10(14)17/h2-5H,6H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide?
2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide has a molecular weight of 249.70 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 167067120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).