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

C25H23N3O2 — CID 43922241

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H23N3O2/c1-19-26-15-16-28(19)17-20-7-9-22(10-8-20)25(29)27-23-11-13-24(14-12-23)30-18-21-5-3-2-4-6-21/h2-16H,17-18H2,1H3,(H,27,29)
InChIKeyIQGBMKQQHWDEFO-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.07
Rot. Bonds7

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

4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 43922241) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID43922241
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H23N3O2/c1-19-26-15-16-28(19)17-20-7-9-22(10-8-20)25(29)27-23-11-13-24(14-12-23)30-18-21-5-3-2-4-6-21/h2-16H,17-18H2,1H3,(H,27,29)
InChIKeyIQGBMKQQHWDEFO-UHFFFAOYSA-N
XLogP5.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 56506117
N-(4-cyclopentyloxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46775326
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
CID 133220620
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878
N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43924902
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide (CID 43922241) is 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide is Cc1nccn1Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is IQGBMKQQHWDEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-19-26-15-16-28(19)17-20-7-9-22(10-8-20)25(29)27-23-11-13-24(14-12-23)30-18-21-5-3-2-4-6-21/h2-16H,17-18H2,1H3,(H,27,29).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 397.48 g/mol, XLogP of 5.07, 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-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 43922241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).