1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole

C15H18FN3 — CID 114717837

IUPAC1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2Cc2cccc(F)c2)CCNC1
InChIInChI=1S/C15H18FN3/c1-15(5-6-17-10-15)14-8-18-11-19(14)9-12-3-2-4-13(16)7-12/h2-4,7-8,11,17H,5-6,9-10H2,1H3
InChIKeyWMCLJNKKHOSREE-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.32
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole

1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114717837) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114717837
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2Cc2cccc(F)c2)CCNC1
InChIInChI=1S/C15H18FN3/c1-15(5-6-17-10-15)14-8-18-11-19(14)9-12-3-2-4-13(16)7-12/h2-4,7-8,11,17H,5-6,9-10H2,1H3
InChIKeyWMCLJNKKHOSREE-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine
CID 114717839
1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114720615
4-(3-benzylimidazol-4-yl)-4-methylpiperidine
CID 114716257
3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine
CID 114722754
5-(3-methylpyrrolidin-3-yl)-1-[(2-nitrophenyl)methyl]imidazole
CID 114719094
N,N-dimethyl-2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethanamine
CID 114717474
ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole
CID 91389513
1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114719456
5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
CID 114721941
1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114102706
1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114718002
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114717837) is 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole is CC1(c2cncn2Cc2cccc(F)c2)CCNC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is WMCLJNKKHOSREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-15(5-6-17-10-15)14-8-18-11-19(14)9-12-3-2-4-13(16)7-12/h2-4,7-8,11,17H,5-6,9-10H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 259.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114717837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).