4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole

C13H23N3 — CID 105478440

IUPAC4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
SMILESCCc1[nH]c(C2CCNC2)nc1C(C)(C)C
InChIInChI=1S/C13H23N3/c1-5-10-11(13(2,3)4)16-12(15-10)9-6-7-14-8-9/h9,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyOKFRZZLWJVXAQY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.35
Rot. Bonds2

About 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole

4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole (PubChem CID 105478440) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
PubChem CID105478440
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
SMILESCCc1[nH]c(C2CCNC2)nc1C(C)(C)C
InChIInChI=1S/C13H23N3/c1-5-10-11(13(2,3)4)16-12(15-10)9-6-7-14-8-9/h9,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyOKFRZZLWJVXAQY-UHFFFAOYSA-N
XLogP2.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
CID 105458221
(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine
CID 82373833
5-(2-methylpropyl)-4-propan-2-yl-2-pyrrolidin-3-yl-1H-imidazole
CID 105497006
3-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 105492309
5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine
CID 105437732
7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 84695842
3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole
CID 63032199
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
6-methyl-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 79795877
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one
CID 83849709
4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole
CID 105479693

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole?
The IUPAC name of 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole (CID 105478440) is 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole.
What is the SMILES notation for 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole?
The canonical SMILES for 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole is CCc1[nH]c(C2CCNC2)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole?
The InChIKey is OKFRZZLWJVXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-10-11(13(2,3)4)16-12(15-10)9-6-7-14-8-9/h9,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole?
4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole has a molecular weight of 221.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole is sourced from PubChem (CID 105478440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).