2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide

C23H18N6O2 — CID 11990527

IUPAC2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4nc5ccc(/C(N)=N/[H])cc5[nH]4)o3)o2)cc1
InChIInChI=1S/C23H18N6O2/c24-21(25)13-3-1-12(2-4-13)17-7-8-18(30-17)19-9-10-20(31-19)23-28-15-6-5-14(22(26)27)11-16(15)29-23/h1-11H,(H3,24,25)(H3,26,27)(H,28,29)
InChIKeyMVEYCYQPRUTAOA-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.32
Rot. Bonds5

About 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide

2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide (PubChem CID 11990527) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
PubChem CID11990527
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4nc5ccc(/C(N)=N/[H])cc5[nH]4)o3)o2)cc1
InChIInChI=1S/C23H18N6O2/c24-21(25)13-3-1-12(2-4-13)17-7-8-18(30-17)19-9-10-20(31-19)23-28-15-6-5-14(22(26)27)11-16(15)29-23/h1-11H,(H3,24,25)(H3,26,27)(H,28,29)
InChIKeyMVEYCYQPRUTAOA-UHFFFAOYSA-N
XLogP4.32
TPSA154.70 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide 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

2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
2-[2-(4-carbamimidoylphenyl)-1H-imidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 122219176
2-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-3H-benzimidazole-5-carboximidamide
CID 11280567
2-[4-[4-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 162642784
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide
CID 134840621
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)selenophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 146014497
2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide
CID 137314301
[amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium
CID 136745223
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-3H-benzimidazole-5-carboximidamide;ethanol
CID 139912797

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide (CID 11990527) is 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4nc5ccc(/C(N)=N/[H])cc5[nH]4)o3)o2)cc1.
What is the InChIKey of 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The InChIKey is MVEYCYQPRUTAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c24-21(25)13-3-1-12(2-4-13)17-7-8-18(30-17)19-9-10-20(31-19)23-28-15-6-5-14(22(26)27)11-16(15)29-23/h1-11H,(H3,24,25)(H3,26,27)(H,28,29).
What are the key properties of 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide?
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 410.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 11990527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).