1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole

C14H15F2N3 — CID 91430060

IUPAC1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole
SMILESFc1ccc(C2CCN(Cn3ccnc3)C2)cc1F
InChIInChI=1S/C14H15F2N3/c15-13-2-1-11(7-14(13)16)12-3-5-18(8-12)10-19-6-4-17-9-19/h1-2,4,6-7,9,12H,3,5,8,10H2
InChIKeyNYVBHIRWANZOMJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.61
Rot. Bonds3

About 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole

1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole (PubChem CID 91430060) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole
PubChem CID91430060
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole
SMILESFc1ccc(C2CCN(Cn3ccnc3)C2)cc1F
InChIInChI=1S/C14H15F2N3/c15-13-2-1-11(7-14(13)16)12-3-5-18(8-12)10-19-6-4-17-9-19/h1-2,4,6-7,9,12H,3,5,8,10H2
InChIKeyNYVBHIRWANZOMJ-UHFFFAOYSA-N
XLogP2.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole (CID 91430060) is 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole is Fc1ccc(C2CCN(Cn3ccnc3)C2)cc1F.
What is the InChIKey of 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is NYVBHIRWANZOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-13-2-1-11(7-14(13)16)12-3-5-18(8-12)10-19-6-4-17-9-19/h1-2,4,6-7,9,12H,3,5,8,10H2.
What are the key properties of 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole?
1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 263.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 91430060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).