2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole

C19H25F2N3O — CID 91923888

IUPAC2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole
SMILESCOCCCn1c(C)cnc1C1CCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C19H25F2N3O/c1-14-11-22-19(24(14)7-3-9-25-2)16-6-8-23(13-16)12-15-4-5-17(20)10-18(15)21/h4-5,10-11,16H,3,6-9,12-13H2,1-2H3
InChIKeyIEMLHMAPPALTAV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.50
Rot. Bonds7

About 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole

2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole (PubChem CID 91923888) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole.

Molecular Properties

Compound Name2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole
PubChem CID91923888
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole
SMILESCOCCCn1c(C)cnc1C1CCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C19H25F2N3O/c1-14-11-22-19(24(14)7-3-9-25-2)16-6-8-23(13-16)12-15-4-5-17(20)10-18(15)21/h4-5,10-11,16H,3,6-9,12-13H2,1-2H3
InChIKeyIEMLHMAPPALTAV-UHFFFAOYSA-N
XLogP3.50
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole?
The IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole (CID 91923888) is 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole.
What is the SMILES notation for 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole?
The canonical SMILES for 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole is COCCCn1c(C)cnc1C1CCN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole?
The InChIKey is IEMLHMAPPALTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-14-11-22-19(24(14)7-3-9-25-2)16-6-8-23(13-16)12-15-4-5-17(20)10-18(15)21/h4-5,10-11,16H,3,6-9,12-13H2,1-2H3.
What are the key properties of 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole?
2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole has a molecular weight of 349.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole is sourced from PubChem (CID 91923888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).