1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole

C13H21N3 — CID 106194376

IUPAC1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC(C)=CCn1cncc1C1(C)CCNC1
InChIInChI=1S/C13H21N3/c1-11(2)4-7-16-10-15-8-12(16)13(3)5-6-14-9-13/h4,8,10,14H,5-7,9H2,1-3H3
InChIKeyBWBGTSRVOREBMJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.10
Rot. Bonds3

About 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 106194376) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID106194376
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC(C)=CCn1cncc1C1(C)CCNC1
InChIInChI=1S/C13H21N3/c1-11(2)4-7-16-10-15-8-12(16)13(3)5-6-14-9-13/h4,8,10,14H,5-7,9H2,1-3H3
InChIKeyBWBGTSRVOREBMJ-UHFFFAOYSA-N
XLogP2.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 9815231
4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 10329450
4-((3R,4R)-4-methylpyrrolidin-3-yl)-1H-imidazole
CID 9815232
5-(pyrrolidin-3-yl)-1H-imidazole
CID 19041233
4-((3S,4R)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 44461842
4-((S)-3-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 44461244
4-((3S,5S)-5-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 44461245
4-((3S,4S)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 44461246
4-((2R,3S)-2-Ethyl-pyrrolidin-3-yl)-1H-imidazole
CID 44461605
4-((2S,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 44461854
5-(4-methylpyrrolidin-3-yl)-1H-imidazole
CID 20777079
4-(1-methyl-1H-imidazol-5-yl)piperidine
CID 44182357

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 106194376) is 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole is CC(C)=CCn1cncc1C1(C)CCNC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is BWBGTSRVOREBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(2)4-7-16-10-15-8-12(16)13(3)5-6-14-9-13/h4,8,10,14H,5-7,9H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 219.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 106194376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).