4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide

C21H23N3O2 — CID 133220620

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NC(C)COc2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16(15-26-20-6-4-3-5-7-20)23-21(25)19-10-8-18(9-11-19)14-24-13-12-22-17(24)2/h3-13,16H,14-15H2,1-2H3,(H,23,25)
InChIKeyODJLKARIBXSJHG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.44
Rot. Bonds7

About 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide

4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide (PubChem CID 133220620) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
PubChem CID133220620
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NC(C)COc2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16(15-26-20-6-4-3-5-7-20)23-21(25)19-10-8-18(9-11-19)14-24-13-12-22-17(24)2/h3-13,16H,14-15H2,1-2H3,(H,23,25)
InChIKeyODJLKARIBXSJHG-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 46776702
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
1-benzyl-2-methylimidazole
CID 158634472
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058669
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 94013585

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide (CID 133220620) is 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide is Cc1nccn1Cc1ccc(C(=O)NC(C)COc2ccccc2)cc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide?
The InChIKey is ODJLKARIBXSJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(15-26-20-6-4-3-5-7-20)23-21(25)19-10-8-18(9-11-19)14-24-13-12-22-17(24)2/h3-13,16H,14-15H2,1-2H3,(H,23,25).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide is sourced from PubChem (CID 133220620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).