1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C14H23N3 — CID 104943398

IUPAC1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC1(C)CCCC1n1cncc1[C@@H]1CCCN1
InChIInChI=1S/C14H23N3/c1-14(2)7-3-6-13(14)17-10-15-9-12(17)11-5-4-8-16-11/h9-11,13,16H,3-8H2,1-2H3/t11-,13?/m0/s1
InChIKeyFJDZIDCNFRWCPI-AMGKYWFPSA-N
MW233.36 g/mol
LogP3.06
Rot. Bonds2

About 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104943398) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104943398
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC1(C)CCCC1n1cncc1[C@@H]1CCCN1
InChIInChI=1S/C14H23N3/c1-14(2)7-3-6-13(14)17-10-15-9-12(17)11-5-4-8-16-11/h9-11,13,16H,3-8H2,1-2H3/t11-,13?/m0/s1
InChIKeyFJDZIDCNFRWCPI-AMGKYWFPSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706666
2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine
CID 114721223
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole
CID 114706346
1-(1-methylcyclobutyl)-5-pyrrolidin-2-ylimidazole
CID 114707392
1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943773
1-(2,4-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706222
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]thiane 1-oxide
CID 104943786
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-propyl-4-(5-pyrrolidin-2-ylimidazol-1-yl)piperidine
CID 114705022
2-[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114703362
1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine
CID 107165724

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104943398) is 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CC1(C)CCCC1n1cncc1[C@@H]1CCCN1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is FJDZIDCNFRWCPI-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)7-3-6-13(14)17-10-15-9-12(17)11-5-4-8-16-11/h9-11,13,16H,3-8H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 233.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104943398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).