2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide

C22H24N8O3 — CID 58767878

IUPAC2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2oc(-c3ccc(/C(N)=N/[H])cc3)c(/C(N)=N\OC)c2C(N)=NOC)cc1
InChIInChI=1S/C22H24N8O3/c1-31-29-21(27)15-16(22(28)30-32-2)18(12-5-9-14(10-6-12)20(25)26)33-17(15)11-3-7-13(8-4-11)19(23)24/h3-10H,1-2H3,(H3,23,24)(H3,25,26)(H2,27,29)(H2,28,30)
InChIKeyVGMPJGIWWXQQOF-UHFFFAOYSA-N
MW448.49 g/mol
LogP1.72
Rot. Bonds8

About 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide

2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide (PubChem CID 58767878) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide.

Molecular Properties

Compound Name2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide
PubChem CID58767878
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2oc(-c3ccc(/C(N)=N/[H])cc3)c(/C(N)=N\OC)c2C(N)=NOC)cc1
InChIInChI=1S/C22H24N8O3/c1-31-29-21(27)15-16(22(28)30-32-2)18(12-5-9-14(10-6-12)20(25)26)33-17(15)11-3-7-13(8-4-11)19(23)24/h3-10H,1-2H3,(H3,23,24)(H3,25,26)(H2,27,29)(H2,28,30)
InChIKeyVGMPJGIWWXQQOF-UHFFFAOYSA-N
XLogP1.72
TPSA208.10 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 51.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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'}

Analyze 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide 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

4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium
CID 158147655
N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 58478039
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
ethane;4-phenylbenzenecarboximidamide
CID 91221015
N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
CID 89033049
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-aminobenzenecarboximidamide;ethane
CID 142339418
5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
CID 135949114

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide?
The IUPAC name of 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide (CID 58767878) is 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide.
What is the SMILES notation for 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide?
The canonical SMILES for 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide is [H]/N=C(\N)c1ccc(-c2oc(-c3ccc(/C(N)=N/[H])cc3)c(/C(N)=N\OC)c2C(N)=NOC)cc1.
What is the InChIKey of 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide?
The InChIKey is VGMPJGIWWXQQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-31-29-21(27)15-16(22(28)30-32-2)18(12-5-9-14(10-6-12)20(25)26)33-17(15)11-3-7-13(8-4-11)19(23)24/h3-10H,1-2H3,(H3,23,24)(H3,25,26)(H2,27,29)(H2,28,30).
What are the key properties of 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide?
2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide has a molecular weight of 448.49 g/mol, XLogP of 1.72, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide is sourced from PubChem (CID 58767878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).