1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine

C29H44N2 — CID 71019583

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
SMILESCC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(C)(C)C1
InChIInChI=1S/C29H44N2/c1-19(2)23-13-11-14-24(20(3)4)27(23)30-17-29(9,10)31(18-30)28-25(21(5)6)15-12-16-26(28)22(7)8/h11-16,19-22H,17-18H2,1-10H3
InChIKeyIRGIIZGRFQMNIL-UHFFFAOYSA-N
MW420.69 g/mol
LogP8.24
Rot. Bonds6

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine (PubChem CID 71019583) has the molecular formula C29H44N2 and a molecular weight of 420.69 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
PubChem CID71019583
Molecular FormulaC29H44N2
Molecular Weight420.69 g/mol
Exact Mass420.35
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
SMILESCC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(C)(C)C1
InChIInChI=1S/C29H44N2/c1-19(2)23-13-11-14-24(20(3)4)27(23)30-17-29(9,10)31(18-30)28-25(21(5)6)15-12-16-26(28)22(7)8/h11-16,19-22H,17-18H2,1-10H3
InChIKeyIRGIIZGRFQMNIL-UHFFFAOYSA-N
XLogP8.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.69
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine (CID 71019583) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine is CC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(C)(C)C1.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine?
The InChIKey is IRGIIZGRFQMNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2/c1-19(2)23-13-11-14-24(20(3)4)27(23)30-17-29(9,10)31(18-30)28-25(21(5)6)15-12-16-26(28)22(7)8/h11-16,19-22H,17-18H2,1-10H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine?
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine has a molecular weight of 420.69 g/mol, XLogP of 8.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine is sourced from PubChem (CID 71019583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).