N'-(3-phenylpropyl)imidazole-1-carboximidamide

C13H16N4 — CID 11128056

IUPACN'-(3-phenylpropyl)imidazole-1-carboximidamide
SMILESN/C(=N\CCCc1ccccc1)n1ccnc1
InChIInChI=1S/C13H16N4/c14-13(17-10-9-15-11-17)16-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H2,14,16)
InChIKeyMXINZGYKPMMVRY-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.68
Rot. Bonds4

About N'-(3-phenylpropyl)imidazole-1-carboximidamide

N'-(3-phenylpropyl)imidazole-1-carboximidamide (PubChem CID 11128056) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N'-(3-phenylpropyl)imidazole-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-phenylpropyl)imidazole-1-carboximidamide
PubChem CID11128056
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN'-(3-phenylpropyl)imidazole-1-carboximidamide
SMILESN/C(=N\CCCc1ccccc1)n1ccnc1
InChIInChI=1S/C13H16N4/c14-13(17-10-9-15-11-17)16-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H2,14,16)
InChIKeyMXINZGYKPMMVRY-UHFFFAOYSA-N
XLogP1.68
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
2-phenylethyl imidazole-1-carboxylate
CID 15371420
1-(8-phenyloctyl)imidazole
CID 102394184
N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
CID 113472607
N'-(3-phenylpropyl)propanimidamide
CID 62049417
1-(3-phenylprop-1-en-2-yl)imidazole
CID 22115010
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
CID 110463444
tert-butyl 4-[N'-(3-phenylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111024926
N'-(3-phenylpropyl)cyclohexanecarboximidamide
CID 63175493
N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine
CID 148920925
1-(2-phenylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046491

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylpropyl)imidazole-1-carboximidamide?
The IUPAC name of N'-(3-phenylpropyl)imidazole-1-carboximidamide (CID 11128056) is N'-(3-phenylpropyl)imidazole-1-carboximidamide.
What is the SMILES notation for N'-(3-phenylpropyl)imidazole-1-carboximidamide?
The canonical SMILES for N'-(3-phenylpropyl)imidazole-1-carboximidamide is N/C(=N\CCCc1ccccc1)n1ccnc1.
What is the InChIKey of N'-(3-phenylpropyl)imidazole-1-carboximidamide?
The InChIKey is MXINZGYKPMMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-13(17-10-9-15-11-17)16-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H2,14,16).
What are the key properties of N'-(3-phenylpropyl)imidazole-1-carboximidamide?
N'-(3-phenylpropyl)imidazole-1-carboximidamide has a molecular weight of 228.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylpropyl)imidazole-1-carboximidamide is sourced from PubChem (CID 11128056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).