1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole

C15H17F2N3 — CID 114720615

IUPAC1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2Cc2cc(F)ccc2F)CCNC1
InChIInChI=1S/C15H17F2N3/c1-15(4-5-18-9-15)14-7-19-10-20(14)8-11-6-12(16)2-3-13(11)17/h2-3,6-7,10,18H,4-5,8-9H2,1H3
InChIKeyFNJXLFVDQOSMFB-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.46
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole

1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114720615) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114720615
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2Cc2cc(F)ccc2F)CCNC1
InChIInChI=1S/C15H17F2N3/c1-15(4-5-18-9-15)14-7-19-10-20(14)8-11-6-12(16)2-3-13(11)17/h2-3,6-7,10,18H,4-5,8-9H2,1H3
InChIKeyFNJXLFVDQOSMFB-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114720615) is 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole is CC1(c2cncn2Cc2cc(F)ccc2F)CCNC1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is FNJXLFVDQOSMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-15(4-5-18-9-15)14-7-19-10-20(14)8-11-6-12(16)2-3-13(11)17/h2-3,6-7,10,18H,4-5,8-9H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 277.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114720615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).