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

C18H16N2O2 — CID 10957290

IUPAC4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C18H16N2O2/c1-21-15-8-6-13(7-9-15)17-11-10-16(22-17)12-2-4-14(5-3-12)18(19)20/h2-11H,1H3,(H3,19,20)
InChIKeyXZOHFGVEOOQVRR-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.91
Rot. Bonds4

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

4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide (PubChem CID 10957290) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
PubChem CID10957290
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C18H16N2O2/c1-21-15-8-6-13(7-9-15)17-11-10-16(22-17)12-2-4-14(5-3-12)18(19)20/h2-11H,1H3,(H3,19,20)
InChIKeyXZOHFGVEOOQVRR-UHFFFAOYSA-N
XLogP3.91
TPSA72.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
6-methoxynaphthalene-2-carboximidamide
CID 3274917
(4-methoxyphenyl) (NE)-N-[amino-[4-[5-[4-[(E)-N'-(4-methoxyphenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
CID 6476093
5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide
CID 23160957
(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride
CID 138961462
4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
CID 143041341
2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine
CID 3007922
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide
CID 134840621
4-(furan-2-yl)benzenecarboximidamide
CID 11286893

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide?
The IUPAC name of 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide (CID 10957290) is 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide?
The InChIKey is XZOHFGVEOOQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-21-15-8-6-13(7-9-15)17-11-10-16(22-17)12-2-4-14(5-3-12)18(19)20/h2-11H,1H3,(H3,19,20).
What are the key properties of 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide?
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide has a molecular weight of 292.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide is sourced from PubChem (CID 10957290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).