3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one

C14H15N3O2 — CID 83035136

IUPAC3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one
SMILESCCCn1ccnc1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H15N3O2/c1-2-8-17-9-7-15-12(17)14(19)10-5-3-4-6-11(10)16-13(14)18/h3-7,9,19H,2,8H2,1H3,(H,16,18)
InChIKeyPKHPTCBATSZCMO-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.48
Rot. Bonds3

About 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one

3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one (PubChem CID 83035136) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one
PubChem CID83035136
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one
SMILESCCCn1ccnc1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H15N3O2/c1-2-8-17-9-7-15-12(17)14(19)10-5-3-4-6-11(10)16-13(14)18/h3-7,9,19H,2,8H2,1H3,(H,16,18)
InChIKeyPKHPTCBATSZCMO-UHFFFAOYSA-N
XLogP1.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one (CID 83035136) is 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one is CCCn1ccnc1C1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one?
The InChIKey is PKHPTCBATSZCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-8-17-9-7-15-12(17)14(19)10-5-3-4-6-11(10)16-13(14)18/h3-7,9,19H,2,8H2,1H3,(H,16,18).
What are the key properties of 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one?
3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1-propylimidazol-2-yl)-1H-indol-2-one is sourced from PubChem (CID 83035136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).