N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide

C23H21N3O — CID 43003584

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
SMILESCC(NC(=O)Cc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H21N3O/c1-17(19-8-10-22(11-9-19)26-13-12-24-16-26)25-23(27)15-18-6-7-20-4-2-3-5-21(20)14-18/h2-14,16-17H,15H2,1H3,(H,25,27)
InChIKeyKQSGOUNUWCZSLL-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.45
Rot. Bonds5

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide (PubChem CID 43003584) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
PubChem CID43003584
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
SMILESCC(NC(=O)Cc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H21N3O/c1-17(19-8-10-22(11-9-19)26-13-12-24-16-26)25-23(27)15-18-6-7-20-4-2-3-5-21(20)14-18/h2-14,16-17H,15H2,1H3,(H,25,27)
InChIKeyKQSGOUNUWCZSLL-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 93234966
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
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1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 25351535
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9115423
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 41119508

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide (CID 43003584) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide is CC(NC(=O)Cc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide?
The InChIKey is KQSGOUNUWCZSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-17(19-8-10-22(11-9-19)26-13-12-24-16-26)25-23(27)15-18-6-7-20-4-2-3-5-21(20)14-18/h2-14,16-17H,15H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide has a molecular weight of 355.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 43003584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).