2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide

C11H10N6 — CID 22125586

IUPAC2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cnc[nH]3)[nH]c2c1
InChIInChI=1S/C11H10N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)(H,14,15)(H,16,17)
InChIKeyOADNDJUBXGSTQW-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.24
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide

2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide (PubChem CID 22125586) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide
PubChem CID22125586
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cnc[nH]3)[nH]c2c1
InChIInChI=1S/C11H10N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)(H,14,15)(H,16,17)
InChIKeyOADNDJUBXGSTQW-UHFFFAOYSA-N
XLogP1.24
TPSA107.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.24
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide (CID 22125586) is 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3cnc[nH]3)[nH]c2c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is OADNDJUBXGSTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide?
2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 226.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 22125586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).