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

C29H44N2 — CID 129027447

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine
SMILESCCC1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H44N2/c1-10-27-30(28-23(19(2)3)13-11-14-24(28)20(4)5)17-18-31(27)29-25(21(6)7)15-12-16-26(29)22(8)9/h11-16,19-22,27H,10,17-18H2,1-9H3
InChIKeyLJNIQQLTLDNIHY-UHFFFAOYSA-N
MW420.69 g/mol
LogP8.24
Rot. Bonds7

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

1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine (PubChem CID 129027447) 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]-2-ethylimidazolidine.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine
PubChem CID129027447
Molecular FormulaC29H44N2
Molecular Weight420.69 g/mol
Exact Mass420.35
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine
SMILESCCC1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H44N2/c1-10-27-30(28-23(19(2)3)13-11-14-24(28)20(4)5)17-18-31(27)29-25(21(6)7)15-12-16-26(29)22(8)9/h11-16,19-22,27H,10,17-18H2,1-9H3
InChIKeyLJNIQQLTLDNIHY-UHFFFAOYSA-N
XLogP8.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]-2-propoxyimidazolidine
CID 67326612
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1-iodopropane
CID 159145853
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
CID 102228013
1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one
CID 134471318
3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623218
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
CID 71560960
CID 71560960
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine (CID 129027447) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine is CCC1N(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-ethylimidazolidine?
The InChIKey is LJNIQQLTLDNIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2/c1-10-27-30(28-23(19(2)3)13-11-14-24(28)20(4)5)17-18-31(27)29-25(21(6)7)15-12-16-26(29)22(8)9/h11-16,19-22,27H,10,17-18H2,1-9H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine has a molecular weight of 420.69 g/mol, XLogP of 8.24, 7 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]-2-ethylimidazolidine is sourced from PubChem (CID 129027447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).