4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide

C22H25N3O2 — CID 51952155

IUPAC4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-3-7-20(17-8-5-4-6-9-17)24-22(26)18-10-12-19(13-11-18)27-16-21-23-14-15-25(21)2/h4-6,8-15,20H,3,7,16H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyCBFLVCKEYZBHLU-HXUWFJFHSA-N
MW363.46 g/mol
LogP4.27
Rot. Bonds8

About 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide

4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide (PubChem CID 51952155) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
PubChem CID51952155
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-3-7-20(17-8-5-4-6-9-17)24-22(26)18-10-12-19(13-11-18)27-16-21-23-14-15-25(21)2/h4-6,8-15,20H,3,7,16H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyCBFLVCKEYZBHLU-HXUWFJFHSA-N
XLogP4.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 51952153
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55849910
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
CID 46533721
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95783170
N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793957
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
4-[(1-methylimidazol-2-yl)methoxy]-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 55975100
4-heptoxy-N-(1-phenylpropyl)benzamide
CID 43911534
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide (CID 51952155) is 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide is CCC[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide?
The InChIKey is CBFLVCKEYZBHLU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-7-20(17-8-5-4-6-9-17)24-22(26)18-10-12-19(13-11-18)27-16-21-23-14-15-25(21)2/h4-6,8-15,20H,3,7,16H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide?
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide is sourced from PubChem (CID 51952155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).