[amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium

C17H16N6O2+2 — CID 136745223

IUPAC[amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc2nc(-c3ccc(-c4ccc(C(N)=[NH2+])o4)o3)[nH]c2c1
InChIInChI=1S/C17H14N6O2/c18-15(19)8-1-2-9-10(7-8)23-17(22-9)14-6-4-12(25-14)11-3-5-13(24-11)16(20)21/h1-7H,(H3,18,19)(H3,20,21)(H,22,23)/p+2
InChIKeyZYSPYCCIMQTPAU-UHFFFAOYSA-P
MW336.36 g/mol
LogP-0.99
Rot. Bonds4

About [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium

[amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium (PubChem CID 136745223) has the molecular formula C17H16N6O2+2 and a molecular weight of 336.36 g/mol. Its IUPAC name is [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium
PubChem CID136745223
Molecular FormulaC17H16N6O2+2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name[amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc2nc(-c3ccc(-c4ccc(C(N)=[NH2+])o4)o3)[nH]c2c1
InChIInChI=1S/C17H14N6O2/c18-15(19)8-1-2-9-10(7-8)23-17(22-9)14-6-4-12(25-14)11-3-5-13(24-11)16(20)21/h1-7H,(H3,18,19)(H3,20,21)(H,22,23)/p+2
InChIKeyZYSPYCCIMQTPAU-UHFFFAOYSA-P
XLogP-0.99
TPSA158.18 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527
[amino-[2-[[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]methylidene]azanium
CID 2386
2-amino-N-[2-[5-[6-[(2-aminoacetyl)amino]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 90832108
2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690364
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902
2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole
CID 132591742
2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile
CID 70852236
N'-hydroxy-2-[4-[6-(N'-hydroxycarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 147189272
6-chloro-2-[5-(2-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674033
6-chloro-2-[5-(3-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674034
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole
CID 13004842

Frequently Asked Questions

What is the IUPAC name of [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium?
The IUPAC name of [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium (CID 136745223) is [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium.
What is the SMILES notation for [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium?
The canonical SMILES for [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium is NC(=[NH2+])c1ccc2nc(-c3ccc(-c4ccc(C(N)=[NH2+])o4)o3)[nH]c2c1.
What is the InChIKey of [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium?
The InChIKey is ZYSPYCCIMQTPAU-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H14N6O2/c18-15(19)8-1-2-9-10(7-8)23-17(22-9)14-6-4-12(25-14)11-3-5-13(24-11)16(20)21/h1-7H,(H3,18,19)(H3,20,21)(H,22,23)/p+2.
What are the key properties of [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium?
[amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium has a molecular weight of 336.36 g/mol, XLogP of -0.99, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium is sourced from PubChem (CID 136745223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).