1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide

C22H24BrFN4O — CID 70250578

IUPAC1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide
SMILESBr.Fc1ccc(N2CCN(Cc3cnc(-c4ccc5c(c4)CCO5)[nH]3)CC2)cc1
InChIInChI=1S/C22H23FN4O.BrH/c23-18-2-4-20(5-3-18)27-10-8-26(9-11-27)15-19-14-24-22(25-19)17-1-6-21-16(13-17)7-12-28-21;/h1-6,13-14H,7-12,15H2,(H,24,25);1H
InChIKeyYNPBUPKFQXPWJT-UHFFFAOYSA-N
MW459.36 g/mol
LogP4.05
Rot. Bonds4

About 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide

1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide (PubChem CID 70250578) has the molecular formula C22H24BrFN4O and a molecular weight of 459.36 g/mol. Its IUPAC name is 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide.

Molecular Properties

Compound Name1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide
PubChem CID70250578
Molecular FormulaC22H24BrFN4O
Molecular Weight459.36 g/mol
Exact Mass458.11
IUPAC Name1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide
SMILESBr.Fc1ccc(N2CCN(Cc3cnc(-c4ccc5c(c4)CCO5)[nH]3)CC2)cc1
InChIInChI=1S/C22H23FN4O.BrH/c23-18-2-4-20(5-3-18)27-10-8-26(9-11-27)15-19-14-24-22(25-19)17-1-6-21-16(13-17)7-12-28-21;/h1-6,13-14H,7-12,15H2,(H,24,25);1H
InChIKeyYNPBUPKFQXPWJT-UHFFFAOYSA-N
XLogP4.05
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
5-tert-Butyl-2-{3-methyl-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-1H-benzoimidazole
CID 11189343
SB 590885
CID 135564599
5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
CID 135398506
4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine
CID 44129168
3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179289
6-(3-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179850
(E)-SB-590885
CID 135421339
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide?
The IUPAC name of 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide (CID 70250578) is 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide.
What is the SMILES notation for 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide?
The canonical SMILES for 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide is Br.Fc1ccc(N2CCN(Cc3cnc(-c4ccc5c(c4)CCO5)[nH]3)CC2)cc1.
What is the InChIKey of 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide?
The InChIKey is YNPBUPKFQXPWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O.BrH/c23-18-2-4-20(5-3-18)27-10-8-26(9-11-27)15-19-14-24-22(25-19)17-1-6-21-16(13-17)7-12-28-21;/h1-6,13-14H,7-12,15H2,(H,24,25);1H.
What are the key properties of 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide?
1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide has a molecular weight of 459.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide is sourced from PubChem (CID 70250578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).