N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide

C12H12ClN3O — CID 159939674

IUPACN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H12ClN3O/c1-9(17)15-12-7-16(8-14-12)6-10-3-2-4-11(13)5-10/h2-5,7-8H,6H2,1H3,(H,15,17)
InChIKeyOASCOFNBXBONQM-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.54
Rot. Bonds3

About N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide

N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide (PubChem CID 159939674) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
PubChem CID159939674
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H12ClN3O/c1-9(17)15-12-7-16(8-14-12)6-10-3-2-4-11(13)5-10/h2-5,7-8H,6H2,1H3,(H,15,17)
InChIKeyOASCOFNBXBONQM-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
CID 130384064
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(fluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 142742815
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 129205649
(E)-3-(3-methylphenyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]prop-2-enamide
CID 159880450
5-[(E)-3-[[1-[(3-chlorophenyl)methyl]imidazol-4-yl]amino]-3-oxoprop-1-enyl]pyridine-2-carboxylic acid;methyl 5-[(E)-3-[[1-[(3-chlorophenyl)methyl]imidazol-4-yl]amino]-3-oxoprop-1-enyl]pyridine-2-carboxylate
CID 160726114
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224371
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone
CID 161085274
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone
CID 160953842

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide (CID 159939674) is N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide is CC(=O)Nc1cn(Cc2cccc(Cl)c2)cn1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide?
The InChIKey is OASCOFNBXBONQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-9(17)15-12-7-16(8-14-12)6-10-3-2-4-11(13)5-10/h2-5,7-8H,6H2,1H3,(H,15,17).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide?
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide has a molecular weight of 249.70 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide is sourced from PubChem (CID 159939674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).