N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide

C20H21N3O — CID 23368261

IUPACN-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
SMILESCN(Cc1ccc(Cc2cnc[nH]2)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C20H21N3O/c1-23(20(24)12-16-5-3-2-4-6-16)14-18-9-7-17(8-10-18)11-19-13-21-15-22-19/h2-10,13,15H,11-12,14H2,1H3,(H,21,22)
InChIKeyBRIWAARRRATCCR-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.20
Rot. Bonds6

About N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide

N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide (PubChem CID 23368261) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
PubChem CID23368261
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
SMILESCN(Cc1ccc(Cc2cnc[nH]2)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C20H21N3O/c1-23(20(24)12-16-5-3-2-4-6-16)14-18-9-7-17(8-10-18)11-19-13-21-15-22-19/h2-10,13,15H,11-12,14H2,1H3,(H,21,22)
InChIKeyBRIWAARRRATCCR-UHFFFAOYSA-N
XLogP3.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690806
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498034
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea
CID 23368287
N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597836
[4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate
CID 23368213
(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one
CID 22803161
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide (CID 23368261) is N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide is CN(Cc1ccc(Cc2cnc[nH]2)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide?
The InChIKey is BRIWAARRRATCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(20(24)12-16-5-3-2-4-6-16)14-18-9-7-17(8-10-18)11-19-13-21-15-22-19/h2-10,13,15H,11-12,14H2,1H3,(H,21,22).
What are the key properties of N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide?
N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide has a molecular weight of 319.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 23368261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).