3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde

C11H13ClN2O — CID 151431548

IUPAC3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde
SMILESO=CC1CNCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c12-10-3-1-9(2-4-10)6-14-8-13-5-11(14)7-15/h1-4,7,11,13H,5-6,8H2
InChIKeyPCPRJFCYGKGUHB-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.27
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde

3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde (PubChem CID 151431548) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde
PubChem CID151431548
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde
SMILESO=CC1CNCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c12-10-3-1-9(2-4-10)6-14-8-13-5-11(14)7-15/h1-4,7,11,13H,5-6,8H2
InChIKeyPCPRJFCYGKGUHB-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174539995
(6R)-1-benzyl-6-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174668948
1-benzyl-6-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174668949
methyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 66877095
7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174539901
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-2-carbaldehyde
CID 170281892
3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 82023869
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 10850510
1-[(4-chlorophenyl)methyl]piperazine-2-carbonitrile
CID 79085643
(1R,4S)-2-[(4-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 91873396
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde?
The IUPAC name of 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde (CID 151431548) is 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde is O=CC1CNCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde?
The InChIKey is PCPRJFCYGKGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-3-1-9(2-4-10)6-14-8-13-5-11(14)7-15/h1-4,7,11,13H,5-6,8H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde?
3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde has a molecular weight of 224.69 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde is sourced from PubChem (CID 151431548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).