4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

C21H27ClN2 — CID 173174969

IUPAC4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CC(Cl)N(c3c(C)cc(C)cc3C)C2)c(C)c1
InChIInChI=1S/C21H27ClN2/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6/h7-10,19H,11-12H2,1-6H3
InChIKeyWIKKIZUEAGGQQY-UHFFFAOYSA-N
MW342.91 g/mol
LogP5.39
Rot. Bonds2

About 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 173174969) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
PubChem CID173174969
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC Name4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CC(Cl)N(c3c(C)cc(C)cc3C)C2)c(C)c1
InChIInChI=1S/C21H27ClN2/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6/h7-10,19H,11-12H2,1-6H3
InChIKeyWIKKIZUEAGGQQY-UHFFFAOYSA-N
XLogP5.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 11774625
2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 138636909
(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
CID 170657864
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
CID 101485045
CID 162469513
CID 162469513
3,5-dimethyl-2-piperidin-1-ylaniline
CID 30029941
4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine
CID 142350924
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite
CID 175231814
1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine
CID 22600180
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
2,4,5-trimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 20749003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (CID 173174969) is 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is Cc1cc(C)c(N2CC(Cl)N(c3c(C)cc(C)cc3C)C2)c(C)c1.
What is the InChIKey of 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is WIKKIZUEAGGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6/h7-10,19H,11-12H2,1-6H3.
What are the key properties of 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 342.91 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 173174969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).