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

C22H25N3O — CID 43925860

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-17(8-9-19-6-4-3-5-7-19)24-22(26)21-12-10-20(11-13-21)16-25-15-14-23-18(25)2/h3-7,10-15,17H,8-9,16H2,1-2H3,(H,24,26)
InChIKeySKHKXXSSQHQFPF-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds7

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

4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 43925860) 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-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID43925860
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-17(8-9-19-6-4-3-5-7-19)24-22(26)21-12-10-20(11-13-21)16-25-15-14-23-18(25)2/h3-7,10-15,17H,8-9,16H2,1-2H3,(H,24,26)
InChIKeySKHKXXSSQHQFPF-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
CID 133220620
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 46776702
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
1-benzyl-2-methylimidazole
CID 158634472
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide (CID 43925860) is 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide is Cc1nccn1Cc1ccc(C(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is SKHKXXSSQHQFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17(8-9-19-6-4-3-5-7-19)24-22(26)21-12-10-20(11-13-21)16-25-15-14-23-18(25)2/h3-7,10-15,17H,8-9,16H2,1-2H3,(H,24,26).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 3.99, 7 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-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 43925860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).