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

C26H25N3O — CID 46776702

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1C(NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccccc1
InChIInChI=1S/C26H25N3O/c1-19-8-6-7-11-24(19)25(22-9-4-3-5-10-22)28-26(30)23-14-12-21(13-15-23)18-29-17-16-27-20(29)2/h3-17,25H,18H2,1-2H3,(H,28,30)
InChIKeyAEWSOFCQGIDDSI-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.07
Rot. Bonds6

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

4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide (PubChem CID 46776702) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
PubChem CID46776702
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1C(NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccccc1
InChIInChI=1S/C26H25N3O/c1-19-8-6-7-11-24(19)25(22-9-4-3-5-10-22)28-26(30)23-14-12-21(13-15-23)18-29-17-16-27-20(29)2/h3-17,25H,18H2,1-2H3,(H,28,30)
InChIKeyAEWSOFCQGIDDSI-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
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
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
1-benzyl-2-methylimidazole
CID 158634472
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 93487464
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922007

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide (CID 46776702) is 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide is Cc1ccccc1C(NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is AEWSOFCQGIDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-8-6-7-11-24(19)25(22-9-4-3-5-10-22)28-26(30)23-14-12-21(13-15-23)18-29-17-16-27-20(29)2/h3-17,25H,18H2,1-2H3,(H,28,30).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 395.51 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 46776702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).