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

C23H26N4O — CID 10270773

IUPAC1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(Cc2cnc(-c3ccc4c(c3)CCO4)[nH]2)CC1
InChIInChI=1S/C23H26N4O/c1-17-4-2-3-5-21(17)27-11-9-26(10-12-27)16-20-15-24-23(25-20)19-6-7-22-18(14-19)8-13-28-22/h2-7,14-15H,8-13,16H2,1H3,(H,24,25)
InChIKeyRNAARYGEKRUMAB-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.64
Rot. Bonds4

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

1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine (PubChem CID 10270773) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine
PubChem CID10270773
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(Cc2cnc(-c3ccc4c(c3)CCO4)[nH]2)CC1
InChIInChI=1S/C23H26N4O/c1-17-4-2-3-5-21(17)27-11-9-26(10-12-27)16-20-15-24-23(25-20)19-6-7-22-18(14-19)8-13-28-22/h2-7,14-15H,8-13,16H2,1H3,(H,24,25)
InChIKeyRNAARYGEKRUMAB-UHFFFAOYSA-N
XLogP3.64
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
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-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
5-tert-Butyl-2-{3-methyl-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-1H-benzoimidazole
CID 11189343
2,3-Pyridinediamine, N3-[[5-(1H-indol-6-yl)-2-(phenylmethoxy)phenyl]methyl]-
CID 11517373
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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine (CID 10270773) is 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine is Cc1ccccc1N1CCN(Cc2cnc(-c3ccc4c(c3)CCO4)[nH]2)CC1.
What is the InChIKey of 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine?
The InChIKey is RNAARYGEKRUMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-4-2-3-5-21(17)27-11-9-26(10-12-27)16-20-15-24-23(25-20)19-6-7-22-18(14-19)8-13-28-22/h2-7,14-15H,8-13,16H2,1H3,(H,24,25).
What are the key properties of 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine?
1-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]-4-(2-methylphenyl)piperazine has a molecular weight of 374.49 g/mol, XLogP of 3.64, 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-(2-methylphenyl)piperazine is sourced from PubChem (CID 10270773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).