(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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Related Compounds

1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine
CID 118501339
3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 116860253
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
CID 117003516
1-[2,6-di(propan-2-yl)phenyl]-3-[3-methoxy-2,6-di(propan-2-yl)phenyl]imidazolidine
CID 141260478
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine
CID 140718499
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424

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).