1-hydroxybenzimidazole-4-carboximidamide

C8H8N4O — CID 122687135

IUPAC1-hydroxybenzimidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1ncn2O
InChIInChI=1S/C8H8N4O/c9-8(10)5-2-1-3-6-7(5)11-4-12(6)13/h1-4,13H,(H3,9,10)
InChIKeyCAGZEFBPVDUFQD-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.56
Rot. Bonds1

About 1-hydroxybenzimidazole-4-carboximidamide

1-hydroxybenzimidazole-4-carboximidamide (PubChem CID 122687135) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-hydroxybenzimidazole-4-carboximidamide.

Molecular Properties

Compound Name1-hydroxybenzimidazole-4-carboximidamide
PubChem CID122687135
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1-hydroxybenzimidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1ncn2O
InChIInChI=1S/C8H8N4O/c9-8(10)5-2-1-3-6-7(5)11-4-12(6)13/h1-4,13H,(H3,9,10)
InChIKeyCAGZEFBPVDUFQD-UHFFFAOYSA-N
XLogP0.56
TPSA87.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxyindole-4-carboximidamide
CID 68773031
1,3-benzothiazole-4-carboximidamide
CID 83677254
biphenylene-1,8-dicarboximidamide
CID 71696896
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466
1-propan-2-ylindole-4-carboximidamide
CID 29038159
[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83873031
2-[5-(4-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole-4-carboximidamide
CID 57107568
9-phenylcarbazole-4-carboximidamide
CID 142504972
4-chloro-2-methylquinoline-8-carboximidamide
CID 82573524
4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide
CID 112755822
2-(propan-2-ylamino)pyridine-3-carboximidamide
CID 22416553

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybenzimidazole-4-carboximidamide?
The IUPAC name of 1-hydroxybenzimidazole-4-carboximidamide (CID 122687135) is 1-hydroxybenzimidazole-4-carboximidamide.
What is the SMILES notation for 1-hydroxybenzimidazole-4-carboximidamide?
The canonical SMILES for 1-hydroxybenzimidazole-4-carboximidamide is [H]/N=C(\N)c1cccc2c1ncn2O.
What is the InChIKey of 1-hydroxybenzimidazole-4-carboximidamide?
The InChIKey is CAGZEFBPVDUFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-8(10)5-2-1-3-6-7(5)11-4-12(6)13/h1-4,13H,(H3,9,10).
What are the key properties of 1-hydroxybenzimidazole-4-carboximidamide?
1-hydroxybenzimidazole-4-carboximidamide has a molecular weight of 176.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybenzimidazole-4-carboximidamide is sourced from PubChem (CID 122687135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).