N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide

C21H23N3O — CID 99953800

IUPACN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCc2ccccc2-n2ccnc2C)cc1
InChIInChI=1S/C21H23N3O/c1-16-7-9-18(10-8-16)11-12-21(25)23-15-19-5-3-4-6-20(19)24-14-13-22-17(24)2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,25)
InChIKeyXMOQNCPBXZYKEB-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.74
Rot. Bonds6

About N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide (PubChem CID 99953800) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
PubChem CID99953800
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCc2ccccc2-n2ccnc2C)cc1
InChIInChI=1S/C21H23N3O/c1-16-7-9-18(10-8-16)11-12-21(25)23-15-19-5-3-4-6-20(19)24-14-13-22-17(24)2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,25)
InChIKeyXMOQNCPBXZYKEB-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100595725
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305918
2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43910298
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
CID 60739656
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 92673140
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
2-(4-bromo-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92675154
3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 51087807

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide (CID 99953800) is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCc2ccccc2-n2ccnc2C)cc1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is XMOQNCPBXZYKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-7-9-18(10-8-16)11-12-21(25)23-15-19-5-3-4-6-20(19)24-14-13-22-17(24)2/h3-10,13-14H,11-12,15H2,1-2H3,(H,23,25).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide?
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 333.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 99953800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).