2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole

C22H28N4 — CID 4899618

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(CN2CCN(Cc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C22H28N4/c1-18(2)26-21-11-7-6-10-20(21)23-22(26)17-25-14-12-24(13-15-25)16-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3
InChIKeyCRFWZNNZNBSWIO-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.93
Rot. Bonds5

About 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole

2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole (PubChem CID 4899618) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole
PubChem CID4899618
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(CN2CCN(Cc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C22H28N4/c1-18(2)26-21-11-7-6-10-20(21)23-22(26)17-25-14-12-24(13-15-25)16-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3
InChIKeyCRFWZNNZNBSWIO-UHFFFAOYSA-N
XLogP3.93
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole (CID 4899618) is 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole is CC(C)n1c(CN2CCN(Cc3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole?
The InChIKey is CRFWZNNZNBSWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-18(2)26-21-11-7-6-10-20(21)23-22(26)17-25-14-12-24(13-15-25)16-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole?
2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole has a molecular weight of 348.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 4899618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).