3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one

C15H20N4O2 — CID 141321020

IUPAC3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2nc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C15H20N4O2/c1-18-6-8-19(9-7-18)15(21)5-4-14-16-12-3-2-11(20)10-13(12)17-14/h2-3,10,20H,4-9H2,1H3,(H,16,17)
InChIKeyLGENCRLXXWXPTB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.98
Rot. Bonds3

About 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one

3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 141321020) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID141321020
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2nc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C15H20N4O2/c1-18-6-8-19(9-7-18)15(21)5-4-14-16-12-3-2-11(20)10-13(12)17-14/h2-3,10,20H,4-9H2,1H3,(H,16,17)
InChIKeyLGENCRLXXWXPTB-UHFFFAOYSA-N
XLogP0.98
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 141321020) is 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCc2nc3ccc(O)cc3[nH]2)CC1.
What is the InChIKey of 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is LGENCRLXXWXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-6-8-19(9-7-18)15(21)5-4-14-16-12-3-2-11(20)10-13(12)17-14/h2-3,10,20H,4-9H2,1H3,(H,16,17).
What are the key properties of 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 288.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 141321020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).