2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide

C13H16N4 — CID 61071225

IUPAC2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C13H16N4/c1-10(12(14)15)9-17-8-7-16-13(17)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H3,14,15)
InChIKeyXFERMGICNWBJFY-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.12
Rot. Bonds4

About 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide

2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide (PubChem CID 61071225) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
PubChem CID61071225
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C13H16N4/c1-10(12(14)15)9-17-8-7-16-13(17)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H3,14,15)
InChIKeyXFERMGICNWBJFY-UHFFFAOYSA-N
XLogP2.12
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-[(2-phenylimidazol-1-yl)methyl]propanimidamide
CID 103370864
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
3-[2-(4-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 54892813
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 55139509
3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 60812856
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine
CID 107506135
2-(2-phenylimidazol-1-yl)ethanethioamide
CID 61069936
1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 62265055
N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine
CID 62042759
1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
CID 65277378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide?
The IUPAC name of 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide (CID 61071225) is 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide.
What is the SMILES notation for 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide?
The canonical SMILES for 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide is [H]/N=C(\N)C(C)Cn1ccnc1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide?
The InChIKey is XFERMGICNWBJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10(12(14)15)9-17-8-7-16-13(17)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H3,14,15).
What are the key properties of 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide?
2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide has a molecular weight of 228.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide is sourced from PubChem (CID 61071225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).