N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide

C13H14ClN3O — CID 115616708

IUPACN-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C13H14ClN3O/c1-9-10(2)17(8-15-9)7-13(18)16-12-5-3-4-11(14)6-12/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyMPGOMXBQMGFWNE-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.79
Rot. Bonds3

About N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide

N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide (PubChem CID 115616708) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
PubChem CID115616708
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C13H14ClN3O/c1-9-10(2)17(8-15-9)7-13(18)16-12-5-3-4-11(14)6-12/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyMPGOMXBQMGFWNE-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 43647452
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(3-chlorophenyl)-2-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358080
N-(3-chlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 4126183
N-(3-chlorophenyl)-2-[3-(3,4-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7476442
N-(3-chlorophenyl)-2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide
CID 3363991
N-(3-chlorophenyl)-2-[3-[(2-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 45030110
N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 55064353

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide (CID 115616708) is N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide is Cc1ncn(CC(=O)Nc2cccc(Cl)c2)c1C.
What is the InChIKey of N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The InChIKey is MPGOMXBQMGFWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-10(2)17(8-15-9)7-13(18)16-12-5-3-4-11(14)6-12/h3-6,8H,7H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide has a molecular weight of 263.73 g/mol, XLogP of 2.79, 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-(4,5-dimethylimidazol-1-yl)acetamide is sourced from PubChem (CID 115616708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).