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

C24H23BrClFN2 — CID 3659282

IUPAC2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
SMILESCc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)C1c1cccc(Br)c1
InChIInChI=1S/C24H23BrClFN2/c1-17-6-2-3-7-19(17)15-28-12-13-29(16-21-22(26)10-5-11-23(21)27)24(28)18-8-4-9-20(25)14-18/h2-11,14,24H,12-13,15-16H2,1H3
InChIKeyPROOOLDCBMOILC-UHFFFAOYSA-N
MW473.82 g/mol
LogP6.57
Rot. Bonds5

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

2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine (PubChem CID 3659282) has the molecular formula C24H23BrClFN2 and a molecular weight of 473.82 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
PubChem CID3659282
Molecular FormulaC24H23BrClFN2
Molecular Weight473.82 g/mol
Exact Mass472.07
IUPAC Name2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
SMILESCc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)C1c1cccc(Br)c1
InChIInChI=1S/C24H23BrClFN2/c1-17-6-2-3-7-19(17)15-28-12-13-29(16-21-22(26)10-5-11-23(21)27)24(28)18-8-4-9-20(25)14-18/h2-11,14,24H,12-13,15-16H2,1H3
InChIKeyPROOOLDCBMOILC-UHFFFAOYSA-N
XLogP6.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.82
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine?
The IUPAC name of 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine (CID 3659282) is 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine.
What is the SMILES notation for 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine?
The canonical SMILES for 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine is Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)C1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine?
The InChIKey is PROOOLDCBMOILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClFN2/c1-17-6-2-3-7-19(17)15-28-12-13-29(16-21-22(26)10-5-11-23(21)27)24(28)18-8-4-9-20(25)14-18/h2-11,14,24H,12-13,15-16H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine?
2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine has a molecular weight of 473.82 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine is sourced from PubChem (CID 3659282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).