2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

C21H23N3O2 — CID 37426607

IUPAC2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C21H23N3O2/c1-16-3-4-17(2)20(11-16)26-14-21(25)23-12-18-5-7-19(8-6-18)13-24-10-9-22-15-24/h3-11,15H,12-14H2,1-2H3,(H,23,25)
InChIKeyRULAUIJMNPXMIK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.24
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 37426607) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID37426607
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C21H23N3O2/c1-16-3-4-17(2)20(11-16)26-14-21(25)23-12-18-5-7-19(8-6-18)13-24-10-9-22-15-24/h3-11,15H,12-14H2,1-2H3,(H,23,25)
InChIKeyRULAUIJMNPXMIK-UHFFFAOYSA-N
XLogP3.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31987382
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide
CID 34906740
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 37425268
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111589518
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 35859565
N-[3-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methylphenyl]propanamide
CID 86994529

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (CID 37426607) is 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is Cc1ccc(C)c(OCC(=O)NCc2ccc(Cn3ccnc3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is RULAUIJMNPXMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-3-4-17(2)20(11-16)26-14-21(25)23-12-18-5-7-19(8-6-18)13-24-10-9-22-15-24/h3-11,15H,12-14H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 37426607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).