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

C12H19N3 — CID 104943773

IUPAC1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC1(n2cncc2[C@@H]2CCCN2)CCC1
InChIInChI=1S/C12H19N3/c1-12(5-3-6-12)15-9-13-8-11(15)10-4-2-7-14-10/h8-10,14H,2-7H2,1H3/t10-/m0/s1
InChIKeyCOIXKQYXBWZPFH-JTQLQIEISA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds2

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

1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104943773) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104943773
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC1(n2cncc2[C@@H]2CCCN2)CCC1
InChIInChI=1S/C12H19N3/c1-12(5-3-6-12)15-9-13-8-11(15)10-4-2-7-14-10/h8-10,14H,2-7H2,1H3/t10-/m0/s1
InChIKeyCOIXKQYXBWZPFH-JTQLQIEISA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylcyclobutyl)-5-pyrrolidin-2-ylimidazole
CID 114707392
1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole
CID 114706346
2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine
CID 114707289
1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943398
1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706666
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
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114704559

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104943773) is 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CC1(n2cncc2[C@@H]2CCCN2)CCC1.
What is the InChIKey of 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is COIXKQYXBWZPFH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3/c1-12(5-3-6-12)15-9-13-8-11(15)10-4-2-7-14-10/h8-10,14H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 205.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104943773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).