3-(2-methoxyethyl)benzimidazole-5-carbaldehyde

C11H12N2O2 — CID 58748120

IUPAC3-(2-methoxyethyl)benzimidazole-5-carbaldehyde
SMILESCOCCn1cnc2ccc(C=O)cc21
InChIInChI=1S/C11H12N2O2/c1-15-5-4-13-8-12-10-3-2-9(7-14)6-11(10)13/h2-3,6-8H,4-5H2,1H3
InChIKeyWPRWNXJPMNQUBM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.50
Rot. Bonds4

About 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde

3-(2-methoxyethyl)benzimidazole-5-carbaldehyde (PubChem CID 58748120) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxyethyl)benzimidazole-5-carbaldehyde
PubChem CID58748120
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(2-methoxyethyl)benzimidazole-5-carbaldehyde
SMILESCOCCn1cnc2ccc(C=O)cc21
InChIInChI=1S/C11H12N2O2/c1-15-5-4-13-8-12-10-3-2-9(7-14)6-11(10)13/h2-3,6-8H,4-5H2,1H3
InChIKeyWPRWNXJPMNQUBM-UHFFFAOYSA-N
XLogP1.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde?
The IUPAC name of 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde (CID 58748120) is 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde.
What is the SMILES notation for 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde?
The canonical SMILES for 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde is COCCn1cnc2ccc(C=O)cc21.
What is the InChIKey of 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde?
The InChIKey is WPRWNXJPMNQUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-5-4-13-8-12-10-3-2-9(7-14)6-11(10)13/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde?
3-(2-methoxyethyl)benzimidazole-5-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)benzimidazole-5-carbaldehyde is sourced from PubChem (CID 58748120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).