N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide

C22H22N4O2 — CID 58478039

IUPACN'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC)cc3)cc2)cc1
InChIInChI=1S/C22H22N4O2/c1-27-25-21(23)19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)22(24)26-28-2/h3-14H,1-2H3,(H2,23,25)(H2,24,26)
InChIKeyQZNNUWUFFBUTIG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.55
Rot. Bonds6

About N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide

N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide (PubChem CID 58478039) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
PubChem CID58478039
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC)cc3)cc2)cc1
InChIInChI=1S/C22H22N4O2/c1-27-25-21(23)19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)22(24)26-28-2/h3-14H,1-2H3,(H2,23,25)(H2,24,26)
InChIKeyQZNNUWUFFBUTIG-UHFFFAOYSA-N
XLogP3.55
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methoxy-4-[6-[4-[(E)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]benzenecarboximidamide
CID 11849847
N'-methoxybenzenecarboximidamide
CID 10678407
N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
CID 89033049
N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide
CID 91254126
2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide
CID 58767878
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-methoxypyridine-3-carboximidamide
CID 82467799
4-bromobenzonitrile;4-bromo-N'-hydroxybenzenecarboximidamide;4-bromo-N'-methoxybenzenecarboximidamide
CID 172950920
N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide
CID 25271457
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride
CID 87754286

Frequently Asked Questions

What is the IUPAC name of N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide?
The IUPAC name of N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide (CID 58478039) is N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide?
The canonical SMILES for N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide is CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC)cc3)cc2)cc1.
What is the InChIKey of N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide?
The InChIKey is QZNNUWUFFBUTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-25-21(23)19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)22(24)26-28-2/h3-14H,1-2H3,(H2,23,25)(H2,24,26).
What are the key properties of N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide?
N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide has a molecular weight of 374.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide is sourced from PubChem (CID 58478039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).