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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Related Compounds

1-(azepan-1-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 6501370
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3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
3-(1H-benzimidazol-2-yl)-1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 72937446
5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 20972490
1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800078
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CID 74240102
2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
CID 81431285
3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 17492856
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
3-(1H-benzimidazol-2-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
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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).