2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide

C15H20N4 — CID 64538119

IUPAC2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(Cn1ccnc1CCC)c1ccccc1
InChIInChI=1S/C15H20N4/c1-2-6-14-18-9-10-19(14)11-13(15(16)17)12-7-4-3-5-8-12/h3-5,7-10,13H,2,6,11H2,1H3,(H3,16,17)
InChIKeyFPHWMBBQBQIJGM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.56
Rot. Bonds6

About 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide

2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide (PubChem CID 64538119) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide.

Molecular Properties

Compound Name2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide
PubChem CID64538119
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(Cn1ccnc1CCC)c1ccccc1
InChIInChI=1S/C15H20N4/c1-2-6-14-18-9-10-19(14)11-13(15(16)17)12-7-4-3-5-8-12/h3-5,7-10,13H,2,6,11H2,1H3,(H3,16,17)
InChIKeyFPHWMBBQBQIJGM-UHFFFAOYSA-N
XLogP2.56
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.56
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-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043825
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
CID 61071225
3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide
CID 79188347
3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264
3-(dibutylamino)-2-phenylpropanimidamide
CID 64537683
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
3,3,3-trifluoro-2-[(2-phenylimidazol-1-yl)methyl]propanimidamide
CID 103370864
2-(ethylamino)-3-(2-propylimidazol-1-yl)propan-1-ol
CID 64810250
3-(4-iodopyrazol-1-yl)-2-phenylpropanimidamide
CID 64538321
methyl 2-phenyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 64564775
3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64538720

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide?
The IUPAC name of 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide (CID 64538119) is 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide.
What is the SMILES notation for 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide?
The canonical SMILES for 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide is [H]/N=C(\N)C(Cn1ccnc1CCC)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide?
The InChIKey is FPHWMBBQBQIJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-6-14-18-9-10-19(14)11-13(15(16)17)12-7-4-3-5-8-12/h3-5,7-10,13H,2,6,11H2,1H3,(H3,16,17).
What are the key properties of 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide?
2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide has a molecular weight of 256.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide is sourced from PubChem (CID 64538119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).