4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride

C14H18Cl2N2O — CID 23083525

IUPAC4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride
SMILESCC(C)/N=C(\N)c1ccc(-c2ccco2)cc1.Cl.Cl
InChIInChI=1S/C14H16N2O.2ClH/c1-10(2)16-14(15)12-7-5-11(6-8-12)13-4-3-9-17-13;;/h3-10H,1-2H3,(H2,15,16);2*1H
InChIKeyZPNBSJIGLKVJIM-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.90
Rot. Bonds3

About 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride

4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride (PubChem CID 23083525) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride
PubChem CID23083525
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride
SMILESCC(C)/N=C(\N)c1ccc(-c2ccco2)cc1.Cl.Cl
InChIInChI=1S/C14H16N2O.2ClH/c1-10(2)16-14(15)12-7-5-11(6-8-12)13-4-3-9-17-13;;/h3-10H,1-2H3,(H2,15,16);2*1H
InChIKeyZPNBSJIGLKVJIM-UHFFFAOYSA-N
XLogP3.90
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.90
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 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride?
The IUPAC name of 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride (CID 23083525) is 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride?
The canonical SMILES for 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride is CC(C)/N=C(\N)c1ccc(-c2ccco2)cc1.Cl.Cl.
What is the InChIKey of 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride?
The InChIKey is ZPNBSJIGLKVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.2ClH/c1-10(2)16-14(15)12-7-5-11(6-8-12)13-4-3-9-17-13;;/h3-10H,1-2H3,(H2,15,16);2*1H.
What are the key properties of 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride?
4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride has a molecular weight of 301.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 23083525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).