3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide

C21H31N3O — CID 42819409

IUPAC3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide
SMILESCc1cccc(Cn2ccnc2CN(CC(C)C)C(=O)CC(C)C)c1
InChIInChI=1S/C21H31N3O/c1-16(2)11-21(25)24(13-17(3)4)15-20-22-9-10-23(20)14-19-8-6-7-18(5)12-19/h6-10,12,16-17H,11,13-15H2,1-5H3
InChIKeyPKPHJNVQHRZEOI-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.27
Rot. Bonds8

About 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide

3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide (PubChem CID 42819409) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide
PubChem CID42819409
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide
SMILESCc1cccc(Cn2ccnc2CN(CC(C)C)C(=O)CC(C)C)c1
InChIInChI=1S/C21H31N3O/c1-16(2)11-21(25)24(13-17(3)4)15-20-22-9-10-23(20)14-19-8-6-7-18(5)12-19/h6-10,12,16-17H,11,13-15H2,1-5H3
InChIKeyPKPHJNVQHRZEOI-UHFFFAOYSA-N
XLogP4.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819679
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42819298
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 42819476
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 42819353
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
3-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]butanamide
CID 83280017
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
N-(2-methoxyethyl)-3-methyl-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]butanamide
CID 42819437
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 113353800
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
CID 42819032
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide?
The IUPAC name of 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide (CID 42819409) is 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide is Cc1cccc(Cn2ccnc2CN(CC(C)C)C(=O)CC(C)C)c1.
What is the InChIKey of 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide?
The InChIKey is PKPHJNVQHRZEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-16(2)11-21(25)24(13-17(3)4)15-20-22-9-10-23(20)14-19-8-6-7-18(5)12-19/h6-10,12,16-17H,11,13-15H2,1-5H3.
What are the key properties of 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide?
3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide has a molecular weight of 341.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 42819409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).