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

C18H19ClN4 — CID 10064981

IUPAC2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESClc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C18H19ClN4/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18-20-16-3-1-2-4-17(16)21-18/h1-8H,9-13H2,(H,20,21)
InChIKeyZKGTVROZJFXGLA-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.54
Rot. Bonds3

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

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 10064981) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID10064981
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESClc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C18H19ClN4/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18-20-16-3-1-2-4-17(16)21-18/h1-8H,9-13H2,(H,20,21)
InChIKeyZKGTVROZJFXGLA-UHFFFAOYSA-N
XLogP3.54
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 10064981) is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole is Clc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is ZKGTVROZJFXGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18-20-16-3-1-2-4-17(16)21-18/h1-8H,9-13H2,(H,20,21).
What are the key properties of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 326.83 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 10064981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).