4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde

C10H7N3O — CID 45078304

IUPAC4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde
SMILESO=Cc1cnc2[nH]c3ccccc3n12
InChIInChI=1S/C10H7N3O/c14-6-7-5-11-10-12-8-3-1-2-4-9(8)13(7)10/h1-6H,(H,11,12)
InChIKeySSKOJFDTFDUPFH-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.63
Rot. Bonds1

About 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde

4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde (PubChem CID 45078304) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde.

Molecular Properties

Compound Name4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde
PubChem CID45078304
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde
SMILESO=Cc1cnc2[nH]c3ccccc3n12
InChIInChI=1S/C10H7N3O/c14-6-7-5-11-10-12-8-3-1-2-4-9(8)13(7)10/h1-6H,(H,11,12)
InChIKeySSKOJFDTFDUPFH-UHFFFAOYSA-N
XLogP1.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde?
The IUPAC name of 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde (CID 45078304) is 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde.
What is the SMILES notation for 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde?
The canonical SMILES for 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde is O=Cc1cnc2[nH]c3ccccc3n12.
What is the InChIKey of 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde?
The InChIKey is SSKOJFDTFDUPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-6-7-5-11-10-12-8-3-1-2-4-9(8)13(7)10/h1-6H,(H,11,12).
What are the key properties of 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde?
4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde has a molecular weight of 185.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde is sourced from PubChem (CID 45078304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).