2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

C21H23N3O2 — CID 37426208

IUPAC2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-2-26-20-9-7-17(8-10-20)13-21(25)23-14-18-3-5-19(6-4-18)15-24-12-11-22-16-24/h3-12,16H,2,13-15H2,1H3,(H,23,25)
InChIKeySOKNRCIYUNNFOA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.19
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 37426208) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID37426208
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-2-26-20-9-7-17(8-10-20)13-21(25)23-14-18-3-5-19(6-4-18)15-24-12-11-22-16-24/h3-12,16H,2,13-15H2,1H3,(H,23,25)
InChIKeySOKNRCIYUNNFOA-UHFFFAOYSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide
CID 34906740
7-ethoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869222
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426607
6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473047
1-[(2-ethoxyphenyl)methyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 111881073
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 111430641
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
2-(4-chlorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34906705

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (CID 37426208) is 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is CCOc1ccc(CC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is SOKNRCIYUNNFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-26-20-9-7-17(8-10-20)13-21(25)23-14-18-3-5-19(6-4-18)15-24-12-11-22-16-24/h3-12,16H,2,13-15H2,1H3,(H,23,25).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 37426208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).