1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine

C16H17ClN2O — CID 100951358

IUPAC1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine
SMILESCOc1ccc(C2NCCN2c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O/c1-20-15-7-5-12(6-8-15)16-18-9-10-19(16)14-4-2-3-13(17)11-14/h2-8,11,16,18H,9-10H2,1H3
InChIKeyBHWCMSDUZMHLOO-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine

1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine (PubChem CID 100951358) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine
PubChem CID100951358
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine
SMILESCOc1ccc(C2NCCN2c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O/c1-20-15-7-5-12(6-8-15)16-18-9-10-19(16)14-4-2-3-13(17)11-14/h2-8,11,16,18H,9-10H2,1H3
InChIKeyBHWCMSDUZMHLOO-UHFFFAOYSA-N
XLogP3.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine (CID 100951358) is 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine is COc1ccc(C2NCCN2c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine?
The InChIKey is BHWCMSDUZMHLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-20-15-7-5-12(6-8-15)16-18-9-10-19(16)14-4-2-3-13(17)11-14/h2-8,11,16,18H,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine?
1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine has a molecular weight of 288.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine is sourced from PubChem (CID 100951358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).