1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine

C26H37N3 — CID 22600180

IUPAC1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2N2CCCCC2)c(C)c1
InChIInChI=1S/C26H37N3/c1-18-14-20(3)24(21(4)15-18)28-12-13-29(26(28)27-10-8-7-9-11-27)25-22(5)16-19(2)17-23(25)6/h14-17,26H,7-13H2,1-6H3
InChIKeyOCGDTCCJVRHCSD-UHFFFAOYSA-N
MW391.60 g/mol
LogP5.63
Rot. Bonds3

About 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine

1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine (PubChem CID 22600180) has the molecular formula C26H37N3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine.

Molecular Properties

Compound Name1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine
PubChem CID22600180
Molecular FormulaC26H37N3
Molecular Weight391.60 g/mol
Exact Mass391.30
IUPAC Name1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2N2CCCCC2)c(C)c1
InChIInChI=1S/C26H37N3/c1-18-14-20(3)24(21(4)15-18)28-12-13-29(26(28)27-10-8-7-9-11-27)25-22(5)16-19(2)17-23(25)6/h14-17,26H,7-13H2,1-6H3
InChIKeyOCGDTCCJVRHCSD-UHFFFAOYSA-N
XLogP5.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine?
The IUPAC name of 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine (CID 22600180) is 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine.
What is the SMILES notation for 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine?
The canonical SMILES for 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2N2CCCCC2)c(C)c1.
What is the InChIKey of 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine?
The InChIKey is OCGDTCCJVRHCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3/c1-18-14-20(3)24(21(4)15-18)28-12-13-29(26(28)27-10-8-7-9-11-27)25-22(5)16-19(2)17-23(25)6/h14-17,26H,7-13H2,1-6H3.
What are the key properties of 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine?
1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine has a molecular weight of 391.60 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]piperidine is sourced from PubChem (CID 22600180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).