4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine

C20H26F2N4 — CID 67264904

IUPAC4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESFc1ccc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)cc1F
InChIInChI=1S/C20H26F2N4/c21-17-4-3-16(13-18(17)22)19-14-26(12-11-25-9-1-2-10-25)20(24-19)15-5-7-23-8-6-15/h3-4,13-15,23H,1-2,5-12H2
InChIKeyFDDUTJVXCLAIGO-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.39
Rot. Bonds5

About 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine

4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (PubChem CID 67264904) has the molecular formula C20H26F2N4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
PubChem CID67264904
Molecular FormulaC20H26F2N4
Molecular Weight360.45 g/mol
Exact Mass360.21
IUPAC Name4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESFc1ccc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)cc1F
InChIInChI=1S/C20H26F2N4/c21-17-4-3-16(13-18(17)22)19-14-26(12-11-25-9-1-2-10-25)20(24-19)15-5-7-23-8-6-15/h3-4,13-15,23H,1-2,5-12H2
InChIKeyFDDUTJVXCLAIGO-UHFFFAOYSA-N
XLogP3.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (CID 67264904) is 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is Fc1ccc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)cc1F.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The InChIKey is FDDUTJVXCLAIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4/c21-17-4-3-16(13-18(17)22)19-14-26(12-11-25-9-1-2-10-25)20(24-19)15-5-7-23-8-6-15/h3-4,13-15,23H,1-2,5-12H2.
What are the key properties of 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine has a molecular weight of 360.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 67264904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).