5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide

C18H16N4O2 — CID 135949114

IUPAC5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)cc2)o1
InChIInChI=1S/C18H16N4O2/c19-17(20)16-10-9-15(24-16)13-5-1-11(2-6-13)12-3-7-14(8-4-12)18(21)22-23/h1-10,23H,(H3,19,20)(H2,21,22)
InChIKeyCSGBSJUGIDCJRP-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.99
Rot. Bonds4

About 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide

5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide (PubChem CID 135949114) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide.

Molecular Properties

Compound Name5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
PubChem CID135949114
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)cc2)o1
InChIInChI=1S/C18H16N4O2/c19-17(20)16-10-9-15(24-16)13-5-1-11(2-6-13)12-3-7-14(8-4-12)18(21)22-23/h1-10,23H,(H3,19,20)(H2,21,22)
InChIKeyCSGBSJUGIDCJRP-UHFFFAOYSA-N
XLogP2.99
TPSA121.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.99
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide
CID 23160957
5-phenylfuran-2-carboximidamide;hydrochloride
CID 24838257
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
CID 143041341
N'-hydroxy-6-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135676648
N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135447764
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
CID 4071161
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
4-(furan-2-yl)benzenecarboximidamide
CID 11286893

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide?
The IUPAC name of 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide (CID 135949114) is 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide.
What is the SMILES notation for 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide?
The canonical SMILES for 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)cc2)o1.
What is the InChIKey of 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide?
The InChIKey is CSGBSJUGIDCJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-17(20)16-10-9-15(24-16)13-5-1-11(2-6-13)12-3-7-14(8-4-12)18(21)22-23/h1-10,23H,(H3,19,20)(H2,21,22).
What are the key properties of 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide?
5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide has a molecular weight of 320.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide is sourced from PubChem (CID 135949114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).