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

C22H23ClN4O — CID 10135286

IUPAC1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine
SMILESClc1ccccc1N1CCN(Cc2cnc(-c3ccc4c(c3)CCO4)[nH]2)CC1
InChIInChI=1S/C22H23ClN4O/c23-19-3-1-2-4-20(19)27-10-8-26(9-11-27)15-18-14-24-22(25-18)17-5-6-21-16(13-17)7-12-28-21/h1-6,13-14H,7-12,15H2,(H,24,25)
InChIKeyYWRWIYMCLZEKAB-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.99
Rot. Bonds4

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

1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine (PubChem CID 10135286) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine
PubChem CID10135286
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine
SMILESClc1ccccc1N1CCN(Cc2cnc(-c3ccc4c(c3)CCO4)[nH]2)CC1
InChIInChI=1S/C22H23ClN4O/c23-19-3-1-2-4-20(19)27-10-8-26(9-11-27)15-18-14-24-22(25-18)17-5-6-21-16(13-17)7-12-28-21/h1-6,13-14H,7-12,15H2,(H,24,25)
InChIKeyYWRWIYMCLZEKAB-UHFFFAOYSA-N
XLogP3.99
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine
CID 10270773
1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine;hydrobromide
CID 70250578
2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]-1,8-naphthyridine
CID 70248549
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 16673733
1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1H-imidazol-4-yl]methyl]-4-methylpiperazine;ethane;molecular iodine
CID 157369796
4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 10149949
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 104544765
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
CID 10498094
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propan-1-one
CID 37211580
6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 21263905
1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 19106667

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine (CID 10135286) is 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine is Clc1ccccc1N1CCN(Cc2cnc(-c3ccc4c(c3)CCO4)[nH]2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine?
The InChIKey is YWRWIYMCLZEKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-19-3-1-2-4-20(19)27-10-8-26(9-11-27)15-18-14-24-22(25-18)17-5-6-21-16(13-17)7-12-28-21/h1-6,13-14H,7-12,15H2,(H,24,25).
What are the key properties of 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine?
1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine has a molecular weight of 394.91 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine is sourced from PubChem (CID 10135286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).