5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide

C16H14N4O2 — CID 23160957

IUPAC5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cc2)o1
InChIInChI=1S/C16H14N4O2/c17-15(18)13-7-5-11(21-13)9-1-2-10(4-3-9)12-6-8-14(22-12)16(19)20/h1-8H,(H3,17,18)(H3,19,20)
InChIKeyGTNCKTDETLOXHU-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.77
Rot. Bonds4

About 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide

5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide (PubChem CID 23160957) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide.

Molecular Properties

Compound Name5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide
PubChem CID23160957
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cc2)o1
InChIInChI=1S/C16H14N4O2/c17-15(18)13-7-5-11(21-13)9-1-2-10(4-3-9)12-6-8-14(22-12)16(19)20/h1-8H,(H3,17,18)(H3,19,20)
InChIKeyGTNCKTDETLOXHU-UHFFFAOYSA-N
XLogP2.77
TPSA126.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

5-phenylfuran-2-carboximidamide;hydrochloride
CID 24838257
5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
CID 135949114
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
CID 143041341
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
5-(methoxymethyl)furan-2-carboximidamide
CID 130995486
4-(furan-2-yl)benzenecarboximidamide
CID 11286893
4-(1,2-oxazol-5-yl)benzenecarboximidamide
CID 142630673
5-[4-(trifluoromethyl)phenyl]furan-2-carbothioamide
CID 94280906
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide?
The IUPAC name of 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide (CID 23160957) is 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide.
What is the SMILES notation for 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide?
The canonical SMILES for 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cc2)o1.
What is the InChIKey of 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide?
The InChIKey is GTNCKTDETLOXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-15(18)13-7-5-11(21-13)9-1-2-10(4-3-9)12-6-8-14(22-12)16(19)20/h1-8H,(H3,17,18)(H3,19,20).
What are the key properties of 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide?
5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide has a molecular weight of 294.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide is sourced from PubChem (CID 23160957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).