2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide

C17H23N3O — CID 110444680

IUPAC2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)C(C)(C)C)c1nccn1C
InChIInChI=1S/C17H23N3O/c1-12-8-6-7-9-13(12)14(15-18-10-11-20(15)5)19-16(21)17(2,3)4/h6-11,14H,1-5H3,(H,19,21)
InChIKeyAZPQZHYIBIPWLN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.98
Rot. Bonds3

About 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide

2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide (PubChem CID 110444680) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
PubChem CID110444680
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)C(C)(C)C)c1nccn1C
InChIInChI=1S/C17H23N3O/c1-12-8-6-7-9-13(12)14(15-18-10-11-20(15)5)19-16(21)17(2,3)4/h6-11,14H,1-5H3,(H,19,21)
InChIKeyAZPQZHYIBIPWLN-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
CID 110440273
3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
CID 110442102
N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444793
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
2-(2,6-dimethylphenoxy)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17417006
1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 41430481
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]butane-1-sulfonamide
CID 110440605
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42942160
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide (CID 110444680) is 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide is Cc1ccccc1C(NC(=O)C(C)(C)C)c1nccn1C.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide?
The InChIKey is AZPQZHYIBIPWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-8-6-7-9-13(12)14(15-18-10-11-20(15)5)19-16(21)17(2,3)4/h6-11,14H,1-5H3,(H,19,21).
What are the key properties of 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide?
2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 110444680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).