N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide

C12H12ClN3O — CID 60724518

IUPACN-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3O/c1-9-14-5-6-16(9)8-12(17)15-11-4-2-3-10(13)7-11/h2-7H,8H2,1H3,(H,15,17)
InChIKeyNSIXLFRVVIYQHP-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.48
Rot. Bonds3

About N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide

N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 60724518) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
PubChem CID60724518
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3O/c1-9-14-5-6-16(9)8-12(17)15-11-4-2-3-10(13)7-11/h2-7H,8H2,1H3,(H,15,17)
InChIKeyNSIXLFRVVIYQHP-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 115917971
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
N-(3-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66400972
N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide
CID 118727223
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 166241451

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide (CID 60724518) is N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide is Cc1nccn1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is NSIXLFRVVIYQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-9-14-5-6-16(9)8-12(17)15-11-4-2-3-10(13)7-11/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide?
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 249.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 60724518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).