4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole

C12H23N3 — CID 129126732

IUPAC4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole
SMILESCN1C(C(C)(C)C)=CNC1[C@@H]1CCCN1
InChIInChI=1S/C12H23N3/c1-12(2,3)10-8-14-11(15(10)4)9-6-5-7-13-9/h8-9,11,13-14H,5-7H2,1-4H3/t9-,11?/m0/s1
InChIKeyLFOAXTMNGIBOCU-FTNKSUMCSA-N
MW209.34 g/mol
LogP1.49
Rot. Bonds1

About 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole

4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole (PubChem CID 129126732) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole
PubChem CID129126732
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole
SMILESCN1C(C(C)(C)C)=CNC1[C@@H]1CCCN1
InChIInChI=1S/C12H23N3/c1-12(2,3)10-8-14-11(15(10)4)9-6-5-7-13-9/h8-9,11,13-14H,5-7H2,1-4H3/t9-,11?/m0/s1
InChIKeyLFOAXTMNGIBOCU-FTNKSUMCSA-N
XLogP1.49
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole
CID 57064827
1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole
CID 71428960
4,4-Dimethyl-5-methylidene-1-propan-2-ylimidazolidine
CID 89354940
2-[(2S)-1-iodopyrrolidin-2-yl]-4-methyl-2,3-dihydro-1H-imidazole
CID 89956376
4-methyl-2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazole
CID 89956388
3-Ethyl-4-methyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole
CID 143826153
1-[1-(1-Methylpyrrolidin-2-yl)ethenyl]imidazolidine
CID 144001851
3,5-Dimethyl-2-pyrrolidin-2-yl-1,2-dihydroimidazole
CID 144634328
(2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide
CID 155330060
N',N'-dimethyl-1-(5-methylidenepyrrolidin-2-yl)methanediamine
CID 164064933
3-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863929
1-Ethyl-3-{[(2S)-pyrrolidin-2-yl]methyl}-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71428959

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole?
The IUPAC name of 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole (CID 129126732) is 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole.
What is the SMILES notation for 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole?
The canonical SMILES for 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole is CN1C(C(C)(C)C)=CNC1[C@@H]1CCCN1.
What is the InChIKey of 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole?
The InChIKey is LFOAXTMNGIBOCU-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,3)10-8-14-11(15(10)4)9-6-5-7-13-9/h8-9,11,13-14H,5-7H2,1-4H3/t9-,11?/m0/s1.
What are the key properties of 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole?
4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole has a molecular weight of 209.34 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-2-[(2S)-pyrrolidin-2-yl]-1,2-dihydroimidazole is sourced from PubChem (CID 129126732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).