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

C27H30N2O2 — CID 12062833

IUPAC1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine
SMILESCOc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2/C=C/c2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-30-25-13-8-23(9-14-25)20-28-18-19-29(21-24-10-15-26(31-2)16-11-24)27(28)17-12-22-6-4-3-5-7-22/h3-17,27H,18-21H2,1-2H3/b17-12+
InChIKeySGDZKLALQZAVOA-SFQUDFHCSA-N
MW414.55 g/mol
LogP5.06
Rot. Bonds8

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

1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine (PubChem CID 12062833) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine.

Molecular Properties

Compound Name1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine
PubChem CID12062833
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine
SMILESCOc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2/C=C/c2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-30-25-13-8-23(9-14-25)20-28-18-19-29(21-24-10-15-26(31-2)16-11-24)27(28)17-12-22-6-4-3-5-7-22/h3-17,27H,18-21H2,1-2H3/b17-12+
InChIKeySGDZKLALQZAVOA-SFQUDFHCSA-N
XLogP5.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine?
The IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine (CID 12062833) is 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine.
What is the SMILES notation for 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine?
The canonical SMILES for 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine is COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2/C=C/c2ccccc2)cc1.
What is the InChIKey of 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine?
The InChIKey is SGDZKLALQZAVOA-SFQUDFHCSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-30-25-13-8-23(9-14-25)20-28-18-19-29(21-24-10-15-26(31-2)16-11-24)27(28)17-12-22-6-4-3-5-7-22/h3-17,27H,18-21H2,1-2H3/b17-12+.
What are the key properties of 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine?
1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine has a molecular weight of 414.55 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine is sourced from PubChem (CID 12062833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).