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

C14H20N4O2 — CID 117207686

IUPAC6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESCN1CCN(CCn2c(=O)[nH]c3cc(O)ccc32)CC1
InChIInChI=1S/C14H20N4O2/c1-16-4-6-17(7-5-16)8-9-18-13-3-2-11(19)10-12(13)15-14(18)20/h2-3,10,19H,4-9H2,1H3,(H,15,20)
InChIKeyDSURCZTVLFUFHQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.28
Rot. Bonds3

About 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one

6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one (PubChem CID 117207686) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
PubChem CID117207686
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESCN1CCN(CCn2c(=O)[nH]c3cc(O)ccc32)CC1
InChIInChI=1S/C14H20N4O2/c1-16-4-6-17(7-5-16)8-9-18-13-3-2-11(19)10-12(13)15-14(18)20/h2-3,10,19H,4-9H2,1H3,(H,15,20)
InChIKeyDSURCZTVLFUFHQ-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-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 117209301
6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
CID 67560491
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 58882201
3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one
CID 67559893
3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one
CID 117207356
6-[(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 72812892
5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one
CID 117207732
1-(2-methylsulfonylethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 54934884
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 117208472
6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
CID 21424819
3-(2-ethoxyethyl)-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
CID 70729310

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one (CID 117207686) is 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one is CN1CCN(CCn2c(=O)[nH]c3cc(O)ccc32)CC1.
What is the InChIKey of 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The InChIKey is DSURCZTVLFUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-16-4-6-17(7-5-16)8-9-18-13-3-2-11(19)10-12(13)15-14(18)20/h2-3,10,19H,4-9H2,1H3,(H,15,20).
What are the key properties of 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
6-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 6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117207686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).