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

C27H44N2 — CID 123935563

IUPAC1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-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@@H]3C(C)C)C2)C(C(C)C)CC=C1
InChIInChI=1S/C27H44N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-11,13,18-21,23,25H,12,14-17H2,1-8H3/t23-,25?/m1/s1
InChIKeyOQJVHYWFTNSXQX-XQZUBTRRSA-N
MW396.66 g/mol
LogP6.85
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-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-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine (PubChem CID 123935563) has the molecular formula C27H44N2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-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-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
PubChem CID123935563
Molecular FormulaC27H44N2
Molecular Weight396.66 g/mol
Exact Mass396.35
IUPAC Name1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-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@@H]3C(C)C)C2)C(C(C)C)CC=C1
InChIInChI=1S/C27H44N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-11,13,18-21,23,25H,12,14-17H2,1-8H3/t23-,25?/m1/s1
InChIKeyOQJVHYWFTNSXQX-XQZUBTRRSA-N
XLogP6.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-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-[(6R)-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-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine (CID 123935563) is 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-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-[(6R)-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-[(6R)-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@@H]3C(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-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
The InChIKey is OQJVHYWFTNSXQX-XQZUBTRRSA-N. The full InChI is InChI=1S/C27H44N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-11,13,18-21,23,25H,12,14-17H2,1-8H3/t23-,25?/m1/s1.
What are the key properties of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-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-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine has a molecular weight of 396.66 g/mol, XLogP of 6.85, 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-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine is sourced from PubChem (CID 123935563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).