4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one

C12H13N3O2 — CID 168702802

IUPAC4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
SMILESCn1cnc2cc(N3CC(O)CC3=O)ccc21
InChIInChI=1S/C12H13N3O2/c1-14-7-13-10-4-8(2-3-11(10)14)15-6-9(16)5-12(15)17/h2-4,7,9,16H,5-6H2,1H3
InChIKeyCUEWEKHXPYIJSR-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.67
Rot. Bonds1

About 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one

4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one (PubChem CID 168702802) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
PubChem CID168702802
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
SMILESCn1cnc2cc(N3CC(O)CC3=O)ccc21
InChIInChI=1S/C12H13N3O2/c1-14-7-13-10-4-8(2-3-11(10)14)15-6-9(16)5-12(15)17/h2-4,7,9,16H,5-6H2,1H3
InChIKeyCUEWEKHXPYIJSR-UHFFFAOYSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998
1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one
CID 168703402
4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
CID 168702768
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
CID 168702108
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
4-hydroxy-1-[4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168704116
1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
CID 168702104

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one (CID 168702802) is 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one is Cn1cnc2cc(N3CC(O)CC3=O)ccc21.
What is the InChIKey of 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one?
The InChIKey is CUEWEKHXPYIJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-7-13-10-4-8(2-3-11(10)14)15-6-9(16)5-12(15)17/h2-4,7,9,16H,5-6H2,1H3.
What are the key properties of 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one?
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one has a molecular weight of 231.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168702802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).