4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide

C19H18N2O — CID 127026325

IUPAC4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(CC)cc3)o2)cc1
InChIInChI=1S/C19H18N2O/c1-2-13-3-5-14(6-4-13)17-11-12-18(22-17)15-7-9-16(10-8-15)19(20)21/h3-12H,2H2,1H3,(H3,20,21)
InChIKeyJCXVDDPLQQNWMU-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.46
Rot. Bonds4

About 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide

4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide (PubChem CID 127026325) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
PubChem CID127026325
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(CC)cc3)o2)cc1
InChIInChI=1S/C19H18N2O/c1-2-13-3-5-14(6-4-13)17-11-12-18(22-17)15-7-9-16(10-8-15)19(20)21/h3-12H,2H2,1H3,(H3,20,21)
InChIKeyJCXVDDPLQQNWMU-UHFFFAOYSA-N
XLogP4.46
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide
CID 23160957
4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
CID 143041341
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
CID 135949114
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide
CID 134840621
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
4-(furan-2-yl)benzenecarboximidamide
CID 11286893
5-phenylfuran-2-carboximidamide;hydrochloride
CID 24838257
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide?
The IUPAC name of 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide (CID 127026325) is 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide?
The canonical SMILES for 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(CC)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide?
The InChIKey is JCXVDDPLQQNWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-13-3-5-14(6-4-13)17-11-12-18(22-17)15-7-9-16(10-8-15)19(20)21/h3-12H,2H2,1H3,(H3,20,21).
What are the key properties of 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide?
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide has a molecular weight of 290.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide is sourced from PubChem (CID 127026325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).