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

C22H25N3O2 — CID 51952153

IUPAC4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H25N3O2/c1-4-20(17-7-5-16(2)6-8-17)24-22(26)18-9-11-19(12-10-18)27-15-21-23-13-14-25(21)3/h5-14,20H,4,15H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyYQHLEGCBFDKBKF-HXUWFJFHSA-N
MW363.46 g/mol
LogP4.19
Rot. Bonds7

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

4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide (PubChem CID 51952153) 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-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
PubChem CID51952153
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H25N3O2/c1-4-20(17-7-5-16(2)6-8-17)24-22(26)18-9-11-19(12-10-18)27-15-21-23-13-14-25(21)3/h5-14,20H,4,15H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyYQHLEGCBFDKBKF-HXUWFJFHSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55849910
N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide
CID 56503242
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
4-[(1-methylimidazol-2-yl)methoxy]-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 55975100
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 55789132

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide (CID 51952153) is 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide is CC[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The InChIKey is YQHLEGCBFDKBKF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-20(17-7-5-16(2)6-8-17)24-22(26)18-9-11-19(12-10-18)27-15-21-23-13-14-25(21)3/h5-14,20H,4,15H2,1-3H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.19, 7 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-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 51952153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).