1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole

C13H21N3 — CID 114706346

IUPAC1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole
SMILESCC1(n2cncc2C2CCCN2)CCCC1
InChIInChI=1S/C13H21N3/c1-13(6-2-3-7-13)16-10-14-9-12(16)11-5-4-8-15-11/h9-11,15H,2-8H2,1H3
InChIKeyVHJKTIXZLKNXEZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds2

About 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole

1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114706346) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114706346
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole
SMILESCC1(n2cncc2C2CCCN2)CCCC1
InChIInChI=1S/C13H21N3/c1-13(6-2-3-7-13)16-10-14-9-12(16)11-5-4-8-15-11/h9-11,15H,2-8H2,1H3
InChIKeyVHJKTIXZLKNXEZ-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943773
1-(1-methylcyclobutyl)-5-pyrrolidin-2-ylimidazole
CID 114707392
2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine
CID 114707289
1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706666
1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943398
2-methyl-6-[3-(4-methyloxan-4-yl)imidazol-4-yl]piperidine
CID 114722066
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine
CID 107165724
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]thiane 1-oxide
CID 104943786

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole (CID 114706346) is 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole is CC1(n2cncc2C2CCCN2)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is VHJKTIXZLKNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(6-2-3-7-13)16-10-14-9-12(16)11-5-4-8-15-11/h9-11,15H,2-8H2,1H3.
What are the key properties of 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole?
1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 219.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114706346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).