4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide

C23H24N4O3 — CID 156508325

IUPAC4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cc(OC)cc(OCc3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C23H24N4O3/c1-28-19-10-20(29-13-15-2-6-17(7-3-15)22(24)25)12-21(11-19)30-14-16-4-8-18(9-5-16)23(26)27/h2-12H,13-14H2,1H3,(H3,24,25)(H3,26,27)
InChIKeyGVPAVRXHLUYUBN-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.42
Rot. Bonds9

About 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide

4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide (PubChem CID 156508325) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
PubChem CID156508325
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cc(OC)cc(OCc3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C23H24N4O3/c1-28-19-10-20(29-13-15-2-6-17(7-3-15)22(24)25)12-21(11-19)30-14-16-4-8-18(9-5-16)23(26)27/h2-12H,13-14H2,1H3,(H3,24,25)(H3,26,27)
InChIKeyGVPAVRXHLUYUBN-UHFFFAOYSA-N
XLogP3.42
TPSA127.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-[[3-butyl-5-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide;methane
CID 160987111
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride
CID 82240770
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide
CID 131981178
4-[(3-bromophenoxy)methyl]benzenecarboximidamide;hydrochloride
CID 82253881
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide (CID 156508325) is 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2cc(OC)cc(OCc3ccc(/C(N)=N/[H])cc3)c2)cc1.
What is the InChIKey of 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide?
The InChIKey is GVPAVRXHLUYUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-28-19-10-20(29-13-15-2-6-17(7-3-15)22(24)25)12-21(11-19)30-14-16-4-8-18(9-5-16)23(26)27/h2-12H,13-14H2,1H3,(H3,24,25)(H3,26,27).
What are the key properties of 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide?
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide has a molecular weight of 404.47 g/mol, XLogP of 3.42, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide is sourced from PubChem (CID 156508325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).