5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole

C11H19N3 — CID 93255768

IUPAC5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
SMILESCC(C)(C)c1cnc([C@H]2CCCN2)[nH]1
InChIInChI=1S/C11H19N3/c1-11(2,3)9-7-13-10(14-9)8-5-4-6-12-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyDRROYQUDAJNADV-MRVPVSSYSA-N
MW193.29 g/mol
LogP2.13
Rot. Bonds1

About 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole

5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole (PubChem CID 93255768) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
PubChem CID93255768
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
SMILESCC(C)(C)c1cnc([C@H]2CCCN2)[nH]1
InChIInChI=1S/C11H19N3/c1-11(2,3)9-7-13-10(14-9)8-5-4-6-12-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyDRROYQUDAJNADV-MRVPVSSYSA-N
XLogP2.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650696
2-(5-tert-butyl-1H-imidazol-2-yl)azepane
CID 64570176
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
CID 167720492
3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
CID 116881114
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
5-ethynyl-2-pyrrolidin-2-yl-1H-imidazole
CID 91164756
4-(4-tert-butylphenyl)-3,5-bis[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,4-triazole
CID 67388671
5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole
CID 115041058
5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid
CID 129096538
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84686950
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole (CID 93255768) is 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole is CC(C)(C)c1cnc([C@H]2CCCN2)[nH]1.
What is the InChIKey of 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is DRROYQUDAJNADV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)9-7-13-10(14-9)8-5-4-6-12-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole?
5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 193.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 93255768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).