4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde

C8H10N2O — CID 63926594

IUPAC4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2c([nH]1)CCCC2
InChIInChI=1S/C8H10N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h5H,1-4H2,(H,9,10)
InChIKeyYEJMYGSGBCZVLN-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.10
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde

4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde (PubChem CID 63926594) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde
PubChem CID63926594
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2c([nH]1)CCCC2
InChIInChI=1S/C8H10N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h5H,1-4H2,(H,9,10)
InChIKeyYEJMYGSGBCZVLN-UHFFFAOYSA-N
XLogP1.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.10
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 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde?
The IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde (CID 63926594) is 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde is O=Cc1nc2c([nH]1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde?
The InChIKey is YEJMYGSGBCZVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h5H,1-4H2,(H,9,10).
What are the key properties of 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde?
4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde is sourced from PubChem (CID 63926594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).