1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C15H27N3 — CID 102909128

IUPAC1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(C)C(Cn1cncc1[C@@H]1CCCN1)C(C)C
InChIInChI=1S/C15H27N3/c1-11(2)13(12(3)4)9-18-10-16-8-15(18)14-6-5-7-17-14/h8,10-14,17H,5-7,9H2,1-4H3/t14-/m0/s1
InChIKeyXFWQMLBFLGUEOF-AWEZNQCLSA-N
MW249.40 g/mol
LogP3.24
Rot. Bonds5

About 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 102909128) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID102909128
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(C)C(Cn1cncc1[C@@H]1CCCN1)C(C)C
InChIInChI=1S/C15H27N3/c1-11(2)13(12(3)4)9-18-10-16-8-15(18)14-6-5-7-17-14/h8,10-14,17H,5-7,9H2,1-4H3/t14-/m0/s1
InChIKeyXFWQMLBFLGUEOF-AWEZNQCLSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
1-(2-methyl-3-methylsulfanylpropyl)-5-pyrrolidin-2-ylimidazole
CID 114706051
1-(2-methyl-3-methylsulfanylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943113
1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
CID 114707453
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
CID 114706396
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 102909128) is 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CC(C)C(Cn1cncc1[C@@H]1CCCN1)C(C)C.
What is the InChIKey of 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is XFWQMLBFLGUEOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)13(12(3)4)9-18-10-16-8-15(18)14-6-5-7-17-14/h8,10-14,17H,5-7,9H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 249.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 102909128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).