(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol

C21H36N2O — CID 134943461

IUPAC(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol
SMILESCC(C)c1cccc(C(C)C)c1N1CCN([C@H](CO)C(C)(C)C)C1
InChIInChI=1S/C21H36N2O/c1-15(2)17-9-8-10-18(16(3)4)20(17)23-12-11-22(14-23)19(13-24)21(5,6)7/h8-10,15-16,19,24H,11-14H2,1-7H3/t19-/m1/s1
InChIKeyDIEQSVVDSWGJJO-LJQANCHMSA-N
MW332.53 g/mol
LogP4.42
Rot. Bonds5

About (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol

(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol (PubChem CID 134943461) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol
PubChem CID134943461
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol
SMILESCC(C)c1cccc(C(C)C)c1N1CCN([C@H](CO)C(C)(C)C)C1
InChIInChI=1S/C21H36N2O/c1-15(2)17-9-8-10-18(16(3)4)20(17)23-12-11-22(14-23)19(13-24)21(5,6)7/h8-10,15-16,19,24H,11-14H2,1-7H3/t19-/m1/s1
InChIKeyDIEQSVVDSWGJJO-LJQANCHMSA-N
XLogP4.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol?
The IUPAC name of (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol (CID 134943461) is (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol is CC(C)c1cccc(C(C)C)c1N1CCN([C@H](CO)C(C)(C)C)C1.
What is the InChIKey of (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol?
The InChIKey is DIEQSVVDSWGJJO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H36N2O/c1-15(2)17-9-8-10-18(16(3)4)20(17)23-12-11-22(14-23)19(13-24)21(5,6)7/h8-10,15-16,19,24H,11-14H2,1-7H3/t19-/m1/s1.
What are the key properties of (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol?
(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol has a molecular weight of 332.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 134943461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).