3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one

C17H20FN3O — CID 110104424

IUPAC3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN2C(=O)CCc2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H20FN3O/c1-12-11-19-17(20-12)15-3-2-10-21(15)16(22)9-6-13-4-7-14(18)8-5-13/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3,(H,19,20)
InChIKeyUFFCZXQXIMROTN-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.15
Rot. Bonds4

About 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110104424) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID110104424
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN2C(=O)CCc2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H20FN3O/c1-12-11-19-17(20-12)15-3-2-10-21(15)16(22)9-6-13-4-7-14(18)8-5-13/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3,(H,19,20)
InChIKeyUFFCZXQXIMROTN-UHFFFAOYSA-N
XLogP3.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124955488
2-(4-methoxyphenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110104413
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
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1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
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3-(benzimidazol-1-yl)-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
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N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451
3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110104195
1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
CID 136523441
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125008602
5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124953316

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 110104424) is 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1cnc(C2CCCN2C(=O)CCc2ccc(F)cc2)[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is UFFCZXQXIMROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-11-19-17(20-12)15-3-2-10-21(15)16(22)9-6-13-4-7-14(18)8-5-13/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 301.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110104424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).