benzaldehyde;1H-benzimidazole

C14H12N2O — CID 159500530

IUPACbenzaldehyde;1H-benzimidazole
SMILESO=Cc1ccccc1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C7H6O/c1-2-4-7-6(3-1)8-5-9-7;8-6-7-4-2-1-3-5-7/h1-5H,(H,8,9);1-6H
InChIKeyLZIGUAARBUESJK-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.06
Rot. Bonds1

About benzaldehyde;1H-benzimidazole

benzaldehyde;1H-benzimidazole (PubChem CID 159500530) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is benzaldehyde;1H-benzimidazole.

Molecular Properties

Compound Namebenzaldehyde;1H-benzimidazole
PubChem CID159500530
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Namebenzaldehyde;1H-benzimidazole
SMILESO=Cc1ccccc1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C7H6O/c1-2-4-7-6(3-1)8-5-9-7;8-6-7-4-2-1-3-5-7/h1-5H,(H,8,9);1-6H
InChIKeyLZIGUAARBUESJK-UHFFFAOYSA-N
XLogP3.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzaldehyde;1H-benzimidazole?
The IUPAC name of benzaldehyde;1H-benzimidazole (CID 159500530) is benzaldehyde;1H-benzimidazole.
What is the SMILES notation for benzaldehyde;1H-benzimidazole?
The canonical SMILES for benzaldehyde;1H-benzimidazole is O=Cc1ccccc1.c1ccc2[nH]cnc2c1.
What is the InChIKey of benzaldehyde;1H-benzimidazole?
The InChIKey is LZIGUAARBUESJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C7H6O/c1-2-4-7-6(3-1)8-5-9-7;8-6-7-4-2-1-3-5-7/h1-5H,(H,8,9);1-6H.
What are the key properties of benzaldehyde;1H-benzimidazole?
benzaldehyde;1H-benzimidazole has a molecular weight of 224.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;1H-benzimidazole is sourced from PubChem (CID 159500530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).