N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide

C12H12ClN3O — CID 71931046

IUPACN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
SMILESCC(=O)Nc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C12H12ClN3O/c1-9(17)15-12-14-6-7-16(12)8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyORVCGVRCVUYUNT-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.54
Rot. Bonds3

About N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide (PubChem CID 71931046) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
PubChem CID71931046
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
SMILESCC(=O)Nc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C12H12ClN3O/c1-9(17)15-12-14-6-7-16(12)8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyORVCGVRCVUYUNT-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

3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
CID 119789659
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015849
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 56791413
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide
CID 86958124
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 167882561
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 86958161
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
1-[(2-chlorophenyl)methyl]imidazol-2-amine
CID 54593550
4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
CID 3054841
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide
CID 100614881

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide (CID 71931046) is N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide is CC(=O)Nc1nccn1Cc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide?
The InChIKey is ORVCGVRCVUYUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-9(17)15-12-14-6-7-16(12)8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide?
N-[1-[(2-chlorophenyl)methyl]imidazol-2-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-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide is sourced from PubChem (CID 71931046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).