2-benzyl-1-chloroimidazolidine-4-carbaldehyde

C11H13ClN2O — CID 151825050

IUPAC2-benzyl-1-chloroimidazolidine-4-carbaldehyde
SMILESO=CC1CN(Cl)C(Cc2ccccc2)N1
InChIInChI=1S/C11H13ClN2O/c12-14-7-10(8-15)13-11(14)6-9-4-2-1-3-5-9/h1-5,8,10-11,13H,6-7H2
InChIKeySDKYWYZGFHBZTD-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.18
Rot. Bonds3

About 2-benzyl-1-chloroimidazolidine-4-carbaldehyde

2-benzyl-1-chloroimidazolidine-4-carbaldehyde (PubChem CID 151825050) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-benzyl-1-chloroimidazolidine-4-carbaldehyde.

Molecular Properties

Compound Name2-benzyl-1-chloroimidazolidine-4-carbaldehyde
PubChem CID151825050
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-benzyl-1-chloroimidazolidine-4-carbaldehyde
SMILESO=CC1CN(Cl)C(Cc2ccccc2)N1
InChIInChI=1S/C11H13ClN2O/c12-14-7-10(8-15)13-11(14)6-9-4-2-1-3-5-9/h1-5,8,10-11,13H,6-7H2
InChIKeySDKYWYZGFHBZTD-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-benzyl-6-bromo-2,3-dihydro-1H-quinoxaline-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-chloroimidazolidine-4-carbaldehyde?
The IUPAC name of 2-benzyl-1-chloroimidazolidine-4-carbaldehyde (CID 151825050) is 2-benzyl-1-chloroimidazolidine-4-carbaldehyde.
What is the SMILES notation for 2-benzyl-1-chloroimidazolidine-4-carbaldehyde?
The canonical SMILES for 2-benzyl-1-chloroimidazolidine-4-carbaldehyde is O=CC1CN(Cl)C(Cc2ccccc2)N1.
What is the InChIKey of 2-benzyl-1-chloroimidazolidine-4-carbaldehyde?
The InChIKey is SDKYWYZGFHBZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-14-7-10(8-15)13-11(14)6-9-4-2-1-3-5-9/h1-5,8,10-11,13H,6-7H2.
What are the key properties of 2-benzyl-1-chloroimidazolidine-4-carbaldehyde?
2-benzyl-1-chloroimidazolidine-4-carbaldehyde has a molecular weight of 224.69 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-chloroimidazolidine-4-carbaldehyde is sourced from PubChem (CID 151825050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).