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

C30H46N2O — CID 67326612

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine
SMILESCCCOC1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H46N2O/c1-10-19-33-30-31(28-24(20(2)3)13-11-14-25(28)21(4)5)17-18-32(30)29-26(22(6)7)15-12-16-27(29)23(8)9/h11-16,20-23,30H,10,17-19H2,1-9H3
InChIKeyRZFFAMNOZUVFIA-UHFFFAOYSA-N
MW450.71 g/mol
LogP8.22
Rot. Bonds9

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

1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine (PubChem CID 67326612) has the molecular formula C30H46N2O and a molecular weight of 450.71 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine
PubChem CID67326612
Molecular FormulaC30H46N2O
Molecular Weight450.71 g/mol
Exact Mass450.36
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine
SMILESCCCOC1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H46N2O/c1-10-19-33-30-31(28-24(20(2)3)13-11-14-25(28)21(4)5)17-18-32(30)29-26(22(6)7)15-12-16-27(29)23(8)9/h11-16,20-23,30H,10,17-19H2,1-9H3
InChIKeyRZFFAMNOZUVFIA-UHFFFAOYSA-N
XLogP8.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene
CID 10883669
N-(2,6-dimethylphenyl)-3-phenylpyrrolidine-1-carbothioamide
CID 5192797
2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine
CID 12183212
Chloro(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)gold(I)
CID 53338759
Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]copper(I)
CID 86677033
[1,3-Bis[2,6-bis(i-propyl)phenyl]-2-imidazolidinylidene]difluoromethylsilver(I)
CID 134159326
1,3-Bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine
CID 11247396
1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium
CID 12058007
1,3-Dimesitylimidazolidine
CID 2060893
1-Benzhydryl-3-(2,6-diisopropyl-phenyl)-imidazolidin-4-one
CID 44268048
3-(2,6-Diisopropyl-phenyl)-1-(2,2-diphenyl-ethyl)-imidazolidin-4-one
CID 44268067
[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold
CID 121235457

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine (CID 67326612) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine is CCCOC1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine?
The InChIKey is RZFFAMNOZUVFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N2O/c1-10-19-33-30-31(28-24(20(2)3)13-11-14-25(28)21(4)5)17-18-32(30)29-26(22(6)7)15-12-16-27(29)23(8)9/h11-16,20-23,30H,10,17-19H2,1-9H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine has a molecular weight of 450.71 g/mol, XLogP of 8.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine is sourced from PubChem (CID 67326612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).