3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol

C18H20N4O — CID 10357932

IUPAC3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol
SMILESOc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H20N4O/c23-15-6-7-16-17(12-15)22(13-14-4-2-1-3-5-14)18(20-16)21-10-8-19-9-11-21/h1-7,12,19,23H,8-11,13H2
InChIKeyHLYAGHNCWJSUKC-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.20
Rot. Bonds3

About 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol

3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol (PubChem CID 10357932) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol.

Molecular Properties

Compound Name3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol
PubChem CID10357932
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol
SMILESOc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H20N4O/c23-15-6-7-16-17(12-15)22(13-14-4-2-1-3-5-14)18(20-16)21-10-8-19-9-11-21/h1-7,12,19,23H,8-11,13H2
InChIKeyHLYAGHNCWJSUKC-UHFFFAOYSA-N
XLogP2.20
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol?
The IUPAC name of 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol (CID 10357932) is 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol.
What is the SMILES notation for 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol?
The canonical SMILES for 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol is Oc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol?
The InChIKey is HLYAGHNCWJSUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-15-6-7-16-17(12-15)22(13-14-4-2-1-3-5-14)18(20-16)21-10-8-19-9-11-21/h1-7,12,19,23H,8-11,13H2.
What are the key properties of 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol?
3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol has a molecular weight of 308.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-piperazin-1-ylbenzimidazol-5-ol is sourced from PubChem (CID 10357932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).