1-pyridin-2-ylbenzimidazole-5-carboximidamide

C13H11N5 — CID 175132027

IUPAC1-pyridin-2-ylbenzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)ncn2-c1ccccn1
InChIInChI=1S/C13H11N5/c14-13(15)9-4-5-11-10(7-9)17-8-18(11)12-3-1-2-6-16-12/h1-8H,(H3,14,15)
InChIKeyVQNBXBHMINVXRR-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.70
Rot. Bonds2

About 1-pyridin-2-ylbenzimidazole-5-carboximidamide

1-pyridin-2-ylbenzimidazole-5-carboximidamide (PubChem CID 175132027) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-pyridin-2-ylbenzimidazole-5-carboximidamide.

Molecular Properties

Compound Name1-pyridin-2-ylbenzimidazole-5-carboximidamide
PubChem CID175132027
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name1-pyridin-2-ylbenzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)ncn2-c1ccccn1
InChIInChI=1S/C13H11N5/c14-13(15)9-4-5-11-10(7-9)17-8-18(11)12-3-1-2-6-16-12/h1-8H,(H3,14,15)
InChIKeyVQNBXBHMINVXRR-UHFFFAOYSA-N
XLogP1.70
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
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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Related Compounds

1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc
CID 87650974
2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
CID 62352348
2-(benzimidazol-1-yl)pyridine-4-carbothioamide
CID 24697495
4-(benzimidazol-1-ylmethyl)-3-chlorobenzenecarboximidamide
CID 102668035
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
2-imidazol-1-ylpyridine-4-carboximidamide
CID 24703180
3-(benzimidazol-1-ylmethyl)benzenecarboximidamide;trihydrochloride
CID 47002397
6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboximidamide
CID 64594944
2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82253500
4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide
CID 112755822
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylbenzimidazole-5-carboximidamide?
The IUPAC name of 1-pyridin-2-ylbenzimidazole-5-carboximidamide (CID 175132027) is 1-pyridin-2-ylbenzimidazole-5-carboximidamide.
What is the SMILES notation for 1-pyridin-2-ylbenzimidazole-5-carboximidamide?
The canonical SMILES for 1-pyridin-2-ylbenzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)ncn2-c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylbenzimidazole-5-carboximidamide?
The InChIKey is VQNBXBHMINVXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-13(15)9-4-5-11-10(7-9)17-8-18(11)12-3-1-2-6-16-12/h1-8H,(H3,14,15).
What are the key properties of 1-pyridin-2-ylbenzimidazole-5-carboximidamide?
1-pyridin-2-ylbenzimidazole-5-carboximidamide has a molecular weight of 237.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylbenzimidazole-5-carboximidamide is sourced from PubChem (CID 175132027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).