N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide

C18H17N3O — CID 82559363

IUPACN-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C18H17N3O/c1-14(22)20-17-9-7-16(8-10-17)18-19-11-12-21(18)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,22)
InChIKeyYYBCUIXSVIYCLR-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.56
Rot. Bonds4

About N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide

N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide (PubChem CID 82559363) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
PubChem CID82559363
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C18H17N3O/c1-14(22)20-17-9-7-16(8-10-17)18-19-11-12-21(18)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,22)
InChIKeyYYBCUIXSVIYCLR-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide
CID 56869896
N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 70732819
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 56748652
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
1-benzyl-2-phenylimidazole;formic acid
CID 158419728
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
N-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-2-yl]phenyl]acetamide
CID 56867925
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
benzene-1,2,4-tricarboxylic acid;tris(1-benzyl-2-phenylimidazole)
CID 173037307
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide (CID 82559363) is N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nccn2Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide?
The InChIKey is YYBCUIXSVIYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14(22)20-17-9-7-16(8-10-17)18-19-11-12-21(18)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,22).
What are the key properties of N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide?
N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 82559363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).