1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde

C17H17ClN2O — CID 174777443

IUPAC1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde
SMILESO=CC1NCC(c2ccccc2)N1Cc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c18-15-8-4-5-13(9-15)11-20-16(10-19-17(20)12-21)14-6-2-1-3-7-14/h1-9,12,16-17,19H,10-11H2
InChIKeyDOCOECRRNIVNFM-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.01
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde

1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde (PubChem CID 174777443) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde
PubChem CID174777443
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde
SMILESO=CC1NCC(c2ccccc2)N1Cc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c18-15-8-4-5-13(9-15)11-20-16(10-19-17(20)12-21)14-6-2-1-3-7-14/h1-9,12,16-17,19H,10-11H2
InChIKeyDOCOECRRNIVNFM-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde (CID 174777443) is 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde is O=CC1NCC(c2ccccc2)N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde?
The InChIKey is DOCOECRRNIVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-8-4-5-13(9-15)11-20-16(10-19-17(20)12-21)14-6-2-1-3-7-14/h1-9,12,16-17,19H,10-11H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde?
1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde has a molecular weight of 300.79 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-phenylimidazolidine-2-carbaldehyde is sourced from PubChem (CID 174777443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).