1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol

C14H20N4O — CID 57210584

IUPAC1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)Cn1cnc2ccccc21
InChIInChI=1S/C14H20N4O/c19-12(9-17-7-5-15-6-8-17)10-18-11-16-13-3-1-2-4-14(13)18/h1-4,11-12,15,19H,5-10H2
InChIKeyDJYTYBISUJZPSN-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.30
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol

1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 57210584) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID57210584
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)Cn1cnc2ccccc21
InChIInChI=1S/C14H20N4O/c19-12(9-17-7-5-15-6-8-17)10-18-11-16-13-3-1-2-4-14(13)18/h1-4,11-12,15,19H,5-10H2
InChIKeyDJYTYBISUJZPSN-UHFFFAOYSA-N
XLogP0.30
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol (CID 57210584) is 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol is OC(CN1CCNCC1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is DJYTYBISUJZPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-12(9-17-7-5-15-6-8-17)10-18-11-16-13-3-1-2-4-14(13)18/h1-4,11-12,15,19H,5-10H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol?
1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 57210584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).