3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one

C19H17N3O2 — CID 135441025

IUPAC3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one
SMILESCCCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21
InChIInChI=1S/C19H17N3O2/c1-2-11-22-15-10-6-3-7-12(15)17(23)16(19(22)24)18-20-13-8-4-5-9-14(13)21-18/h3-10,23H,2,11H2,1H3,(H,20,21)
InChIKeyMDHJBIVJWTTXGC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.66
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one

3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one (PubChem CID 135441025) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one
PubChem CID135441025
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one
SMILESCCCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21
InChIInChI=1S/C19H17N3O2/c1-2-11-22-15-10-6-3-7-12(15)17(23)16(19(22)24)18-20-13-8-4-5-9-14(13)21-18/h3-10,23H,2,11H2,1H3,(H,20,21)
InChIKeyMDHJBIVJWTTXGC-UHFFFAOYSA-N
XLogP3.66
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one (CID 135441025) is 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one is CCCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one?
The InChIKey is MDHJBIVJWTTXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-11-22-15-10-6-3-7-12(15)17(23)16(19(22)24)18-20-13-8-4-5-9-14(13)21-18/h3-10,23H,2,11H2,1H3,(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one?
3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2-one is sourced from PubChem (CID 135441025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).