2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine

C25H27ClN2O2 — CID 12062832

IUPAC2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
SMILESCOc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H27ClN2O2/c1-29-23-10-6-19(7-11-23)17-27-14-15-28(18-20-8-12-24(30-2)13-9-20)25(27)21-4-3-5-22(26)16-21/h3-13,16,25H,14-15,17-18H2,1-2H3
InChIKeyZBBKOQXLJPVUCY-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.37
Rot. Bonds7

About 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine

2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine (PubChem CID 12062832) has the molecular formula C25H27ClN2O2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
PubChem CID12062832
Molecular FormulaC25H27ClN2O2
Molecular Weight422.96 g/mol
Exact Mass422.18
IUPAC Name2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
SMILESCOc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H27ClN2O2/c1-29-23-10-6-19(7-11-23)17-27-14-15-28(18-20-8-12-24(30-2)13-9-20)25(27)21-4-3-5-22(26)16-21/h3-13,16,25H,14-15,17-18H2,1-2H3
InChIKeyZBBKOQXLJPVUCY-UHFFFAOYSA-N
XLogP5.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine?
The IUPAC name of 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine (CID 12062832) is 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine is COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine?
The InChIKey is ZBBKOQXLJPVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O2/c1-29-23-10-6-19(7-11-23)17-27-14-15-28(18-20-8-12-24(30-2)13-9-20)25(27)21-4-3-5-22(26)16-21/h3-13,16,25H,14-15,17-18H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine?
2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine has a molecular weight of 422.96 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine is sourced from PubChem (CID 12062832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).