5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole

C13H23N3 — CID 114794748

IUPAC5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole
SMILESCC(C)Cc1cncn1CCC1CCCN1
InChIInChI=1S/C13H23N3/c1-11(2)8-13-9-14-10-16(13)7-5-12-4-3-6-15-12/h9-12,15H,3-8H2,1-2H3
InChIKeyAILTUFPPPGUOTC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.22
Rot. Bonds5

About 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole

5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole (PubChem CID 114794748) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole
PubChem CID114794748
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole
SMILESCC(C)Cc1cncn1CCC1CCCN1
InChIInChI=1S/C13H23N3/c1-11(2)8-13-9-14-10-16(13)7-5-12-4-3-6-15-12/h9-12,15H,3-8H2,1-2H3
InChIKeyAILTUFPPPGUOTC-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603082
1-(2-methoxyethyl)-5-(2-methylpropyl)imidazole
CID 139364682
5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
CID 66309078
4-[5-(2-methylpropyl)imidazol-1-yl]azepane
CID 107174388
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 126857626
1-cyclopropyl-N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604446
N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 106623020
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621751
6-[(3-ethylimidazol-4-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678545

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole?
The IUPAC name of 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole (CID 114794748) is 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole.
What is the SMILES notation for 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole?
The canonical SMILES for 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole is CC(C)Cc1cncn1CCC1CCCN1.
What is the InChIKey of 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole?
The InChIKey is AILTUFPPPGUOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)8-13-9-14-10-16(13)7-5-12-4-3-6-15-12/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole?
5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole has a molecular weight of 221.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole is sourced from PubChem (CID 114794748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).