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

C22H25N3O — CID 100588442

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-17-23-13-14-25(17)16-19-9-11-20(12-10-19)21(26)24-22(2,3)15-18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,24,26)
InChIKeySEXMKLVDTKQLPM-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds6

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

4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide (PubChem CID 100588442) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
PubChem CID100588442
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-17-23-13-14-25(17)16-19-9-11-20(12-10-19)21(26)24-22(2,3)15-18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,24,26)
InChIKeySEXMKLVDTKQLPM-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
1-benzyl-2-methylimidazole
CID 158634472
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
CID 133220620
4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 46776702
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 43920542
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
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-methyl-1-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide (CID 100588442) is 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide is Cc1nccn1Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
The InChIKey is SEXMKLVDTKQLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-23-13-14-25(17)16-19-9-11-20(12-10-19)21(26)24-22(2,3)15-18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,24,26).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 3.99, 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-methyl-1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 100588442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).