1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine

C22H24F2N4 — CID 155556788

IUPAC1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine
SMILESFc1ccc(CN2CCN(Cc3ccc(F)cc3)C(Cn3ccnc3)C2)cc1
InChIInChI=1S/C22H24F2N4/c23-20-5-1-18(2-6-20)13-26-11-12-28(14-19-3-7-21(24)8-4-19)22(15-26)16-27-10-9-25-17-27/h1-10,17,22H,11-16H2
InChIKeyUXWUFBABZCQQGQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.55
Rot. Bonds6

About 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine

1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine (PubChem CID 155556788) has the molecular formula C22H24F2N4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine
PubChem CID155556788
Molecular FormulaC22H24F2N4
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine
SMILESFc1ccc(CN2CCN(Cc3ccc(F)cc3)C(Cn3ccnc3)C2)cc1
InChIInChI=1S/C22H24F2N4/c23-20-5-1-18(2-6-20)13-26-11-12-28(14-19-3-7-21(24)8-4-19)22(15-26)16-27-10-9-25-17-27/h1-10,17,22H,11-16H2
InChIKeyUXWUFBABZCQQGQ-UHFFFAOYSA-N
XLogP3.55
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2-[(4-fluorophenyl)methyl]-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 67668022
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
2-[4-[[4-(difluoromethoxy)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45205105
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51636339
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
2-[4-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210114
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(3R)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-4-imidazol-1-ylbutan-1-one
CID 95549518
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
CID 95810845
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622986
2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45177358

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine?
The IUPAC name of 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine (CID 155556788) is 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine.
What is the SMILES notation for 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine?
The canonical SMILES for 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine is Fc1ccc(CN2CCN(Cc3ccc(F)cc3)C(Cn3ccnc3)C2)cc1.
What is the InChIKey of 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine?
The InChIKey is UXWUFBABZCQQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4/c23-20-5-1-18(2-6-20)13-26-11-12-28(14-19-3-7-21(24)8-4-19)22(15-26)16-27-10-9-25-17-27/h1-10,17,22H,11-16H2.
What are the key properties of 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine?
1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine has a molecular weight of 382.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)piperazine is sourced from PubChem (CID 155556788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).