5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole

C19H26FN3O — CID 166615769

IUPAC5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
SMILESCOCCn1cncc1CN1CCC(Cc2ccc(C)c(F)c2)C1
InChIInChI=1S/C19H26FN3O/c1-15-3-4-16(10-19(15)20)9-17-5-6-22(12-17)13-18-11-21-14-23(18)7-8-24-2/h3-4,10-11,14,17H,5-9,12-13H2,1-2H3
InChIKeyUZDHOSSBJWPXNY-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.04
Rot. Bonds7

About 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole

5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole (PubChem CID 166615769) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole.

Molecular Properties

Compound Name5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
PubChem CID166615769
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
SMILESCOCCn1cncc1CN1CCC(Cc2ccc(C)c(F)c2)C1
InChIInChI=1S/C19H26FN3O/c1-15-3-4-16(10-19(15)20)9-17-5-6-22(12-17)13-18-11-21-14-23(18)7-8-24-2/h3-4,10-11,14,17H,5-9,12-13H2,1-2H3
InChIKeyUZDHOSSBJWPXNY-UHFFFAOYSA-N
XLogP3.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole?
The IUPAC name of 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole (CID 166615769) is 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole.
What is the SMILES notation for 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole?
The canonical SMILES for 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole is COCCn1cncc1CN1CCC(Cc2ccc(C)c(F)c2)C1.
What is the InChIKey of 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole?
The InChIKey is UZDHOSSBJWPXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-15-3-4-16(10-19(15)20)9-17-5-6-22(12-17)13-18-11-21-14-23(18)7-8-24-2/h3-4,10-11,14,17H,5-9,12-13H2,1-2H3.
What are the key properties of 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole?
5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole has a molecular weight of 331.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole is sourced from PubChem (CID 166615769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).