1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine

C28H46N2 — CID 123976759

IUPAC1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
SMILESCC(C)C1=C(N2CCN(C3=C(C(C)C)C=CC(C)C3C(C)C)C2)C(C(C)C)CC=C1
InChIInChI=1S/C28H46N2/c1-18(2)23-11-10-12-24(19(3)4)27(23)29-15-16-30(17-29)28-25(20(5)6)14-13-22(9)26(28)21(7)8/h10-11,13-14,18-22,24,26H,12,15-17H2,1-9H3
InChIKeyQJFSQZCWZYCKQL-UHFFFAOYSA-N
MW410.69 g/mol
LogP7.09
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine

1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine (PubChem CID 123976759) has the molecular formula C28H46N2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
PubChem CID123976759
Molecular FormulaC28H46N2
Molecular Weight410.69 g/mol
Exact Mass410.37
IUPAC Name1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
SMILESCC(C)C1=C(N2CCN(C3=C(C(C)C)C=CC(C)C3C(C)C)C2)C(C(C)C)CC=C1
InChIInChI=1S/C28H46N2/c1-18(2)23-11-10-12-24(19(3)4)27(23)29-15-16-30(17-29)28-25(20(5)6)14-13-22(9)26(28)21(7)8/h10-11,13-14,18-22,24,26H,12,15-17H2,1-9H3
InChIKeyQJFSQZCWZYCKQL-UHFFFAOYSA-N
XLogP7.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
The IUPAC name of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine (CID 123976759) is 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
The canonical SMILES for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine is CC(C)C1=C(N2CCN(C3=C(C(C)C)C=CC(C)C3C(C)C)C2)C(C(C)C)CC=C1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
The InChIKey is QJFSQZCWZYCKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2/c1-18(2)23-11-10-12-24(19(3)4)27(23)29-15-16-30(17-29)28-25(20(5)6)14-13-22(9)26(28)21(7)8/h10-11,13-14,18-22,24,26H,12,15-17H2,1-9H3.
What are the key properties of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine has a molecular weight of 410.69 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine is sourced from PubChem (CID 123976759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).