2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide

C13H12N6O — CID 137317530

IUPAC2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(/C(N)=N/[H])o3)[nH]c2c1
InChIInChI=1S/C13H12N6O/c14-11(15)6-1-2-7-8(5-6)19-13(18-7)10-4-3-9(20-10)12(16)17/h1-5H,(H3,14,15)(H3,16,17)(H,18,19)
InChIKeyWXFBVZIKJKOSGZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.39
Rot. Bonds3

About 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide

2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide (PubChem CID 137317530) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide
PubChem CID137317530
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(/C(N)=N/[H])o3)[nH]c2c1
InChIInChI=1S/C13H12N6O/c14-11(15)6-1-2-7-8(5-6)19-13(18-7)10-4-3-9(20-10)12(16)17/h1-5H,(H3,14,15)(H3,16,17)(H,18,19)
InChIKeyWXFBVZIKJKOSGZ-UHFFFAOYSA-N
XLogP1.39
TPSA141.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide (CID 137317530) is 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc(/C(N)=N/[H])o3)[nH]c2c1.
What is the InChIKey of 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is WXFBVZIKJKOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-11(15)6-1-2-7-8(5-6)19-13(18-7)10-4-3-9(20-10)12(16)17/h1-5H,(H3,14,15)(H3,16,17)(H,18,19).
What are the key properties of 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide?
2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 268.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoylfuran-2-yl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 137317530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).