5-phenyl-N'-propan-2-ylfuran-3-carboximidamide

C14H16N2O — CID 57264324

IUPAC5-phenyl-N'-propan-2-ylfuran-3-carboximidamide
SMILESCC(C)/N=C(\N)c1coc(-c2ccccc2)c1
InChIInChI=1S/C14H16N2O/c1-10(2)16-14(15)12-8-13(17-9-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,15,16)
InChIKeyGTWDKJVLLVLWQA-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.06
Rot. Bonds3

About 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide

5-phenyl-N'-propan-2-ylfuran-3-carboximidamide (PubChem CID 57264324) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide.

Molecular Properties

Compound Name5-phenyl-N'-propan-2-ylfuran-3-carboximidamide
PubChem CID57264324
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-phenyl-N'-propan-2-ylfuran-3-carboximidamide
SMILESCC(C)/N=C(\N)c1coc(-c2ccccc2)c1
InChIInChI=1S/C14H16N2O/c1-10(2)16-14(15)12-8-13(17-9-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,15,16)
InChIKeyGTWDKJVLLVLWQA-UHFFFAOYSA-N
XLogP3.06
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenecarboximidamide, 4,4'-(2,5-furandiyl)bis[N-cyclopentyl-
CID 445329
2,5-Bis[4-(N-isopropyl amidino)phenyl]furan
CID 449289
Benzenecarboximidamide, 4,4'-(2,5-furandiyl)bis[N-cyclohexyl-
CID 459960
2,4-Bis(4-amidinophenyl)furan
CID 469568
3-Furan-2-yl-3,4-dihydro-isoquinolin-1-ylamine
CID 11075828
N-isopropyl-2-[4-(N-isopropylcarbamimidoyl)phenyl]benzofuran-6-carboxamidine
CID 11257000
N-cyclobutyl-4-[5-[4-(N-cyclobutylcarbamimidoyl)phenyl]-2-furyl]benzamidine
CID 445663
Benzenecarboximidamide, 4,4'-(2,5-furandiyl)bis[N-cyclopropyl-
CID 449284
4-[3,4-dimethyl-5-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]furan-2-yl]-N'-propan-2-ylbenzenecarboximidamide
CID 102509823
N'-ethyl-4-[5-[4-(N'-ethylcarbamimidoyl)phenyl]-3,4-dimethylfuran-2-yl]benzenecarboximidamide
CID 137638659
4-[3,4-dimethyl-5-[4-[N'-(2-methylpropyl)carbamimidoyl]phenyl]furan-2-yl]-N'-(2-methylpropyl)benzenecarboximidamide
CID 137640115
N-[3-(dimethylamino)propyl]-4-[5-[4-[N-[3-(dimethylamino)propyl]carbamimidoyl]phenyl]-2-furyl]benzamidine
CID 457674

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide?
The IUPAC name of 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide (CID 57264324) is 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide.
What is the SMILES notation for 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide?
The canonical SMILES for 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide is CC(C)/N=C(\N)c1coc(-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide?
The InChIKey is GTWDKJVLLVLWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)16-14(15)12-8-13(17-9-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,15,16).
What are the key properties of 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide?
5-phenyl-N'-propan-2-ylfuran-3-carboximidamide has a molecular weight of 228.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N'-propan-2-ylfuran-3-carboximidamide is sourced from PubChem (CID 57264324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).