1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde

C11H12Cl2N2O — CID 175002394

IUPAC1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde
SMILESO=CC1CN(Cc2ccc(Cl)cc2Cl)CN1
InChIInChI=1S/C11H12Cl2N2O/c12-9-2-1-8(11(13)3-9)4-15-5-10(6-16)14-7-15/h1-3,6,10,14H,4-5,7H2
InChIKeyCASGKBUFSOUOJJ-UHFFFAOYSA-N
MW259.14 g/mol
LogP1.92
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde

1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde (PubChem CID 175002394) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde
PubChem CID175002394
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde
SMILESO=CC1CN(Cc2ccc(Cl)cc2Cl)CN1
InChIInChI=1S/C11H12Cl2N2O/c12-9-2-1-8(11(13)3-9)4-15-5-10(6-16)14-7-15/h1-3,6,10,14H,4-5,7H2
InChIKeyCASGKBUFSOUOJJ-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 51.92
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

1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
3-(bromomethyl)-1-[(2,4-dichlorophenyl)methyl]azetidine
CID 130531229
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
5-[(2,4-dichlorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60917507
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 51108757
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine
CID 64832896
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide
CID 100611651
1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde
CID 65318635

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde (CID 175002394) is 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde is O=CC1CN(Cc2ccc(Cl)cc2Cl)CN1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde?
The InChIKey is CASGKBUFSOUOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-9-2-1-8(11(13)3-9)4-15-5-10(6-16)14-7-15/h1-3,6,10,14H,4-5,7H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde?
1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde has a molecular weight of 259.14 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]imidazolidine-4-carbaldehyde is sourced from PubChem (CID 175002394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).