2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole

C20H24N4 — CID 51697276

IUPAC2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESC[C@H](c1ccccc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H24N4/c1-16(17-7-3-2-4-8-17)24-13-11-23(12-14-24)15-20-21-18-9-5-6-10-19(18)22-20/h2-10,16H,11-15H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyXGRNMYZBIFHQFK-MRXNPFEDSA-N
MW320.44 g/mol
LogP3.44
Rot. Bonds4

About 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 51697276) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID51697276
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESC[C@H](c1ccccc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H24N4/c1-16(17-7-3-2-4-8-17)24-13-11-23(12-14-24)15-20-21-18-9-5-6-10-19(18)22-20/h2-10,16H,11-15H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyXGRNMYZBIFHQFK-MRXNPFEDSA-N
XLogP3.44
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazole
CID 112770759
(2S)-1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 97248115
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-1-phenylethanone;oxalic acid
CID 71780693
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;oxalic acid
CID 71780628

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole (CID 51697276) is 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole is C[C@H](c1ccccc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is XGRNMYZBIFHQFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4/c1-16(17-7-3-2-4-8-17)24-13-11-23(12-14-24)15-20-21-18-9-5-6-10-19(18)22-20/h2-10,16H,11-15H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 320.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 51697276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).