2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide

C18H15N7O — CID 164608869

IUPAC2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N/[H])nc4)o3)[nH]c2c1
InChIInChI=1S/C18H15N7O/c19-16(20)9-1-3-11-13(7-9)25-18(24-11)15-6-5-14(26-15)10-2-4-12(17(21)22)23-8-10/h1-8H,(H3,19,20)(H3,21,22)(H,24,25)
InChIKeyVLWQVIPOWLBOPP-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.45
Rot. Bonds4

About 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide

2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide (PubChem CID 164608869) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
PubChem CID164608869
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N/[H])nc4)o3)[nH]c2c1
InChIInChI=1S/C18H15N7O/c19-16(20)9-1-3-11-13(7-9)25-18(24-11)15-6-5-14(26-15)10-2-4-12(17(21)22)23-8-10/h1-8H,(H3,19,20)(H3,21,22)(H,24,25)
InChIKeyVLWQVIPOWLBOPP-UHFFFAOYSA-N
XLogP2.45
TPSA154.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.45
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide (CID 164608869) is 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N/[H])nc4)o3)[nH]c2c1.
What is the InChIKey of 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The InChIKey is VLWQVIPOWLBOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c19-16(20)9-1-3-11-13(7-9)25-18(24-11)15-6-5-14(26-15)10-2-4-12(17(21)22)23-8-10/h1-8H,(H3,19,20)(H3,21,22)(H,24,25).
What are the key properties of 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 345.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 164608869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).