2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole

C23H23ClN6O — CID 171678769

IUPAC2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESClc1cccc(COc2cncc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)n2)c1
InChIInChI=1S/C23H23ClN6O/c24-18-5-3-4-17(12-18)16-31-23-14-25-13-22(28-23)30-10-8-29(9-11-30)15-21-26-19-6-1-2-7-20(19)27-21/h1-7,12-14H,8-11,15-16H2,(H,26,27)
InChIKeyDUIQTIAGIJATBJ-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.91
Rot. Bonds6

About 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 171678769) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID171678769
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESClc1cccc(COc2cncc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)n2)c1
InChIInChI=1S/C23H23ClN6O/c24-18-5-3-4-17(12-18)16-31-23-14-25-13-22(28-23)30-10-8-29(9-11-30)15-21-26-19-6-1-2-7-20(19)27-21/h1-7,12-14H,8-11,15-16H2,(H,26,27)
InChIKeyDUIQTIAGIJATBJ-UHFFFAOYSA-N
XLogP3.91
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole (CID 171678769) is 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole is Clc1cccc(COc2cncc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)n2)c1.
What is the InChIKey of 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is DUIQTIAGIJATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c24-18-5-3-4-17(12-18)16-31-23-14-25-13-22(28-23)30-10-8-29(9-11-30)15-21-26-19-6-1-2-7-20(19)27-21/h1-7,12-14H,8-11,15-16H2,(H,26,27).
What are the key properties of 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 434.93 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 171678769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).