1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine

C26H28ClFN2 — CID 3659276

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine
SMILESCCc1ccc(C2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C26H28ClFN2/c1-3-20-11-13-21(14-12-20)26-29(17-22-8-5-4-7-19(22)2)15-16-30(26)18-23-24(27)9-6-10-25(23)28/h4-14,26H,3,15-18H2,1-2H3
InChIKeyXRMSUYUFWCYNIR-UHFFFAOYSA-N
MW422.98 g/mol
LogP6.37
Rot. Bonds6

About 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine

1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine (PubChem CID 3659276) has the molecular formula C26H28ClFN2 and a molecular weight of 422.98 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine
PubChem CID3659276
Molecular FormulaC26H28ClFN2
Molecular Weight422.98 g/mol
Exact Mass422.19
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine
SMILESCCc1ccc(C2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C26H28ClFN2/c1-3-20-11-13-21(14-12-20)26-29(17-22-8-5-4-7-19(22)2)15-16-30(26)18-23-24(27)9-6-10-25(23)28/h4-14,26H,3,15-18H2,1-2H3
InChIKeyXRMSUYUFWCYNIR-UHFFFAOYSA-N
XLogP6.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.98
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine (CID 3659276) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine is CCc1ccc(C2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine?
The InChIKey is XRMSUYUFWCYNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2/c1-3-20-11-13-21(14-12-20)26-29(17-22-8-5-4-7-19(22)2)15-16-30(26)18-23-24(27)9-6-10-25(23)28/h4-14,26H,3,15-18H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine?
1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine has a molecular weight of 422.98 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine is sourced from PubChem (CID 3659276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).