4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one

C14H20N4O2 — CID 117209301

IUPAC4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESCN1CCN(CCn2c(=O)[nH]c3cccc(O)c32)CC1
InChIInChI=1S/C14H20N4O2/c1-16-5-7-17(8-6-16)9-10-18-13-11(15-14(18)20)3-2-4-12(13)19/h2-4,19H,5-10H2,1H3,(H,15,20)
InChIKeyFYELVGZQQNBFQW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.28
Rot. Bonds3

About 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one

4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one (PubChem CID 117209301) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
PubChem CID117209301
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESCN1CCN(CCn2c(=O)[nH]c3cccc(O)c32)CC1
InChIInChI=1S/C14H20N4O2/c1-16-5-7-17(8-6-16)9-10-18-13-11(15-14(18)20)3-2-4-12(13)19/h2-4,19H,5-10H2,1H3,(H,15,20)
InChIKeyFYELVGZQQNBFQW-UHFFFAOYSA-N
XLogP0.28
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208678
6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 117207686
3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 58882201
4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
CID 84796016
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208652
4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
CID 117208718
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
4-hydroxy-3-(thian-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208927
3-(2-methylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 112576480
3-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931736
4-bromo-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208626
3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione
CID 59468100

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one (CID 117209301) is 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one is CN1CCN(CCn2c(=O)[nH]c3cccc(O)c32)CC1.
What is the InChIKey of 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The InChIKey is FYELVGZQQNBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-16-5-7-17(8-6-16)9-10-18-13-11(15-14(18)20)3-2-4-12(13)19/h2-4,19H,5-10H2,1H3,(H,15,20).
What are the key properties of 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117209301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).