(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine

C24H23Cl2FN2 — CID 92569448

IUPAC(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine
SMILESCc1cccc(CN2CCN(Cc3ccccc3F)[C@@H]2c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C24H23Cl2FN2/c1-17-6-4-7-18(14-17)15-28-12-13-29(16-19-8-2-3-11-22(19)27)24(28)23-20(25)9-5-10-21(23)26/h2-11,14,24H,12-13,15-16H2,1H3/t24-/m1/s1
InChIKeyNKKXQZWTQUIITK-XMMPIXPASA-N
MW429.37 g/mol
LogP6.46
Rot. Bonds5

About (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine

(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine (PubChem CID 92569448) has the molecular formula C24H23Cl2FN2 and a molecular weight of 429.37 g/mol. Its IUPAC name is (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine
PubChem CID92569448
Molecular FormulaC24H23Cl2FN2
Molecular Weight429.37 g/mol
Exact Mass428.12
IUPAC Name(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine
SMILESCc1cccc(CN2CCN(Cc3ccccc3F)[C@@H]2c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C24H23Cl2FN2/c1-17-6-4-7-18(14-17)15-28-12-13-29(16-19-8-2-3-11-22(19)27)24(28)23-20(25)9-5-10-21(23)26/h2-11,14,24H,12-13,15-16H2,1H3/t24-/m1/s1
InChIKeyNKKXQZWTQUIITK-XMMPIXPASA-N
XLogP6.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
CID 92569454
(2R)-1-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-[(3-methylphenyl)methyl]imidazolidine
CID 92569255
(2R)-1-[(2-chlorophenyl)methyl]-2-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane
CID 92569313
(2S)-1-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane
CID 92569323
1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine
CID 3659276
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine
CID 92569166
(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine
CID 92569263
(2S)-1-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-diazinane
CID 92569468
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966667
(2R)-1-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methylphenyl)-3-[(2-methylphenyl)methyl]-1,3-diazinane
CID 92569342
(2S)-2-(4-butoxy-3-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]imidazolidine
CID 92569447

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine?
The IUPAC name of (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine (CID 92569448) is (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine.
What is the SMILES notation for (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine?
The canonical SMILES for (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine is Cc1cccc(CN2CCN(Cc3ccccc3F)[C@@H]2c2c(Cl)cccc2Cl)c1.
What is the InChIKey of (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine?
The InChIKey is NKKXQZWTQUIITK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23Cl2FN2/c1-17-6-4-7-18(14-17)15-28-12-13-29(16-19-8-2-3-11-22(19)27)24(28)23-20(25)9-5-10-21(23)26/h2-11,14,24H,12-13,15-16H2,1H3/t24-/m1/s1.
What are the key properties of (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine?
(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine has a molecular weight of 429.37 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl]imidazolidine is sourced from PubChem (CID 92569448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).