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

C24H23ClF2N2 — CID 92569166

IUPAC(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine
SMILESCc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H23ClF2N2/c1-17-5-2-3-6-19(17)15-28-13-14-29(16-21-22(25)7-4-8-23(21)27)24(28)18-9-11-20(26)12-10-18/h2-12,24H,13-16H2,1H3/t24-/m1/s1
InChIKeyCOZXJYVJNWAUHU-XMMPIXPASA-N
MW412.91 g/mol
LogP5.94
Rot. Bonds5

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

(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine (PubChem CID 92569166) has the molecular formula C24H23ClF2N2 and a molecular weight of 412.91 g/mol. Its IUPAC name is (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine
PubChem CID92569166
Molecular FormulaC24H23ClF2N2
Molecular Weight412.91 g/mol
Exact Mass412.15
IUPAC Name(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine
SMILESCc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H23ClF2N2/c1-17-5-2-3-6-19(17)15-28-13-14-29(16-21-22(25)7-4-8-23(21)27)24(28)18-9-11-20(26)12-10-18/h2-12,24H,13-16H2,1H3/t24-/m1/s1
InChIKeyCOZXJYVJNWAUHU-XMMPIXPASA-N
XLogP5.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.91
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine?
The IUPAC name of (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine (CID 92569166) is (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine.
What is the SMILES notation for (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine?
The canonical SMILES for (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine is Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine?
The InChIKey is COZXJYVJNWAUHU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23ClF2N2/c1-17-5-2-3-6-19(17)15-28-13-14-29(16-21-22(25)7-4-8-23(21)27)24(28)18-9-11-20(26)12-10-18/h2-12,24H,13-16H2,1H3/t24-/m1/s1.
What are the key properties of (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine?
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine has a molecular weight of 412.91 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine is sourced from PubChem (CID 92569166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).