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

C22H25N3O3 — CID 55906144

IUPACN-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C22H25N3O3/c1-3-4-15-27-20-8-6-5-7-19(20)24-22(26)17-9-11-18(12-10-17)28-16-21-23-13-14-25(21)2/h5-14H,3-4,15-16H2,1-2H3,(H,24,26)
InChIKeyMQHYFIBQBAFIGV-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.43
Rot. Bonds9

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

N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55906144) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55906144
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C22H25N3O3/c1-3-4-15-27-20-8-6-5-7-19(20)24-22(26)17-9-11-18(12-10-17)28-16-21-23-13-14-25(21)2/h5-14H,3-4,15-16H2,1-2H3,(H,24,26)
InChIKeyMQHYFIBQBAFIGV-UHFFFAOYSA-N
XLogP4.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
CID 55736145
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55920467
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 47045513
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55849910

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55906144) is N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide is CCCCOc1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is MQHYFIBQBAFIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-4-15-27-20-8-6-5-7-19(20)24-22(26)17-9-11-18(12-10-17)28-16-21-23-13-14-25(21)2/h5-14H,3-4,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55906144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).