1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole

C12H18FN3 — CID 165138765

IUPAC1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole
SMILESC=C(CCCn1ccnc1)N1CCC(F)C1
InChIInChI=1S/C12H18FN3/c1-11(16-7-4-12(13)9-16)3-2-6-15-8-5-14-10-15/h5,8,10,12H,1-4,6-7,9H2
InChIKeyDMUBYAWLYONCQF-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.22
Rot. Bonds5

About 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole

1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole (PubChem CID 165138765) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole.

Molecular Properties

Compound Name1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole
PubChem CID165138765
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole
SMILESC=C(CCCn1ccnc1)N1CCC(F)C1
InChIInChI=1S/C12H18FN3/c1-11(16-7-4-12(13)9-16)3-2-6-15-8-5-14-10-15/h5,8,10,12H,1-4,6-7,9H2
InChIKeyDMUBYAWLYONCQF-UHFFFAOYSA-N
XLogP2.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
2-imidazol-1-ylethanol
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5-imidazol-1-yl-2-oxopentanoic acid
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(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 110108416
6-imidazol-1-ylhexan-3-ol
CID 106802503
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
4-imidazol-1-yl-1-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 118761204

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole?
The IUPAC name of 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole (CID 165138765) is 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole.
What is the SMILES notation for 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole?
The canonical SMILES for 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole is C=C(CCCn1ccnc1)N1CCC(F)C1.
What is the InChIKey of 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole?
The InChIKey is DMUBYAWLYONCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-11(16-7-4-12(13)9-16)3-2-6-15-8-5-14-10-15/h5,8,10,12H,1-4,6-7,9H2.
What are the key properties of 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole?
1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole has a molecular weight of 223.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole is sourced from PubChem (CID 165138765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).