1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine

C17H22F2N4 — CID 70746755

IUPAC1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine
SMILESCC(Cn1ccnc1-c1ccc(F)cc1F)N1CCN(C)CC1
InChIInChI=1S/C17H22F2N4/c1-13(22-9-7-21(2)8-10-22)12-23-6-5-20-17(23)15-4-3-14(18)11-16(15)19/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyPQSDCWNGSUBECH-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.46
Rot. Bonds4

About 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine

1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine (PubChem CID 70746755) has the molecular formula C17H22F2N4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine
PubChem CID70746755
Molecular FormulaC17H22F2N4
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine
SMILESCC(Cn1ccnc1-c1ccc(F)cc1F)N1CCN(C)CC1
InChIInChI=1S/C17H22F2N4/c1-13(22-9-7-21(2)8-10-22)12-23-6-5-20-17(23)15-4-3-14(18)11-16(15)19/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyPQSDCWNGSUBECH-UHFFFAOYSA-N
XLogP2.46
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
CID 82561742
2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910958
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid
CID 82560884
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863
acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol
CID 163340686
4-(2,4-difluorophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 125163143
2-(2-bromo-4-fluorophenyl)-1-methylimidazole
CID 141359044
2-(1-ethylimidazol-2-yl)-5-fluoroaniline
CID 107626587
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747
9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline
CID 11593564
4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
CID 154817124

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine (CID 70746755) is 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine is CC(Cn1ccnc1-c1ccc(F)cc1F)N1CCN(C)CC1.
What is the InChIKey of 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine?
The InChIKey is PQSDCWNGSUBECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4/c1-13(22-9-7-21(2)8-10-22)12-23-6-5-20-17(23)15-4-3-14(18)11-16(15)19/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine?
1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine has a molecular weight of 320.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 70746755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).