3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide

C20H21N3O3 — CID 77081119

IUPAC3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccccc1OCC(C)NC(=O)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C20H21N3O3/c1-14(13-26-18-9-4-3-8-17(18)25-2)23-20(24)16-7-5-6-15(12-16)19-21-10-11-22-19/h3-12,14H,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyWGEQVGYUFYFXAP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.28
Rot. Bonds7

About 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide

3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide (PubChem CID 77081119) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
PubChem CID77081119
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccccc1OCC(C)NC(=O)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C20H21N3O3/c1-14(13-26-18-9-4-3-8-17(18)25-2)23-20(24)16-7-5-6-15(12-16)19-21-10-11-22-19/h3-12,14H,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyWGEQVGYUFYFXAP-UHFFFAOYSA-N
XLogP3.28
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
CID 75371639
3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
CID 46386554
3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide
CID 77087997
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 94623549
4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 133160972

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide (CID 77081119) is 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide is COc1ccccc1OCC(C)NC(=O)c1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide?
The InChIKey is WGEQVGYUFYFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(13-26-18-9-4-3-8-17(18)25-2)23-20(24)16-7-5-6-15(12-16)19-21-10-11-22-19/h3-12,14H,13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide?
3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 77081119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).