2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

C20H21N3O2 — CID 18112934

IUPAC2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-19-7-5-4-6-18(19)20(24)22-15(2)16-8-10-17(11-9-16)23-13-12-21-14-23/h4-15H,3H2,1-2H3,(H,22,24)
InChIKeyDMPFSGIQUZBULO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.76
Rot. Bonds6

About 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (PubChem CID 18112934) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
PubChem CID18112934
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-19-7-5-4-6-18(19)20(24)22-15(2)16-8-10-17(11-9-16)23-13-12-21-14-23/h4-15H,3H2,1-2H3,(H,22,24)
InChIKeyDMPFSGIQUZBULO-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
Azole, 6
CID 53348136
4-(hexyloxy)-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4199636
2-ethoxy-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2931168
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 5301742
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide
CID 14739882
1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propan-2-ol
CID 14739892
3-(2-Cyano-5-imidazol-1-ylmethyl-phenoxy)-N-phenyl-benzamide
CID 21696999
1-[(2-methoxyphenyl)methyl]-N-[(1R)-1-phenylpropyl]-1H-1,3-benzodiazole-5-carboxamide
CID 44132012
8-[4-(4-Imidazol-1-ylbenzoyl)-2-methylphenoxy]octanoic acid
CID 44395309
7-[4-(4-Imidazol-1-ylbenzoyl)-2-methylphenoxy]heptanoic acid
CID 44395326

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (CID 18112934) is 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is CCOc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is DMPFSGIQUZBULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-25-19-7-5-4-6-18(19)20(24)22-15(2)16-8-10-17(11-9-16)23-13-12-21-14-23/h4-15H,3H2,1-2H3,(H,22,24).
What are the key properties of 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 18112934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).