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

C17H26ClN3O — CID 144709386

IUPACN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
SMILESCC.CC.CC(=O)NCc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C13H14ClN3O.2C2H6/c1-10(18)16-8-13-15-6-7-17(13)9-11-4-2-3-5-12(11)14;2*1-2/h2-7H,8-9H2,1H3,(H,16,18);2*1-2H3
InChIKeyVAFMYSVGFALXHM-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.27
Rot. Bonds4

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

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane (PubChem CID 144709386) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
PubChem CID144709386
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
SMILESCC.CC.CC(=O)NCc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C13H14ClN3O.2C2H6/c1-10(18)16-8-13-15-6-7-17(13)9-11-4-2-3-5-12(11)14;2*1-2/h2-7H,8-9H2,1H3,(H,16,18);2*1-2H3
InChIKeyVAFMYSVGFALXHM-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
CID 71931046
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818521
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
CID 42818844
N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107307271
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
1-[(2-chlorophenyl)methyl]-2-methyl-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111772827
1-[(1-benzylimidazol-2-yl)methyl]-2-[(2-chlorophenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111792919
3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
CID 119789659
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane (CID 144709386) is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane is CC.CC.CC(=O)NCc1nccn1Cc1ccccc1Cl.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane?
The InChIKey is VAFMYSVGFALXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O.2C2H6/c1-10(18)16-8-13-15-6-7-17(13)9-11-4-2-3-5-12(11)14;2*1-2/h2-7H,8-9H2,1H3,(H,16,18);2*1-2H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane?
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane has a molecular weight of 323.87 g/mol, XLogP of 4.27, 4 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]methyl]acetamide;ethane is sourced from PubChem (CID 144709386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).