3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide

C13H16N4O — CID 60812856

IUPAC3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
SMILESCC(Cn1ccnc1-c1cccc(N)c1)C(N)=O
InChIInChI=1S/C13H16N4O/c1-9(12(15)18)8-17-6-5-16-13(17)10-3-2-4-11(14)7-10/h2-7,9H,8,14H2,1H3,(H2,15,18)
InChIKeyHXDCXJHQCOOZJR-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.25
Rot. Bonds4

About 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide

3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide (PubChem CID 60812856) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
PubChem CID60812856
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
SMILESCC(Cn1ccnc1-c1cccc(N)c1)C(N)=O
InChIInChI=1S/C13H16N4O/c1-9(12(15)18)8-17-6-5-16-13(17)10-3-2-4-11(14)7-10/h2-7,9H,8,14H2,1H3,(H2,15,18)
InChIKeyHXDCXJHQCOOZJR-UHFFFAOYSA-N
XLogP1.25
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 54892813
3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-[1-(3-methylsulfonylpropyl)imidazol-2-yl]aniline
CID 63191637
2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
CID 61071225
2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide
CID 54922651
2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 60814510
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
CID 107042816
3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
CID 82866200
3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
CID 103409739
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799
3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide
CID 70723626

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide (CID 60812856) is 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide is CC(Cn1ccnc1-c1cccc(N)c1)C(N)=O.
What is the InChIKey of 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide?
The InChIKey is HXDCXJHQCOOZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(12(15)18)8-17-6-5-16-13(17)10-3-2-4-11(14)7-10/h2-7,9H,8,14H2,1H3,(H2,15,18).
What are the key properties of 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide?
3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide has a molecular weight of 244.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 60812856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).