3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one

C18H15N3O2 — CID 135421575

IUPAC3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one
SMILESCCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21
InChIInChI=1S/C18H15N3O2/c1-2-21-14-10-6-3-7-11(14)16(22)15(18(21)23)17-19-12-8-4-5-9-13(12)20-17/h3-10,22H,2H2,1H3,(H,19,20)
InChIKeyBASIMYUONZEVGG-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.27
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one

3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one (PubChem CID 135421575) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one
PubChem CID135421575
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one
SMILESCCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21
InChIInChI=1S/C18H15N3O2/c1-2-21-14-10-6-3-7-11(14)16(22)15(18(21)23)17-19-12-8-4-5-9-13(12)20-17/h3-10,22H,2H2,1H3,(H,19,20)
InChIKeyBASIMYUONZEVGG-UHFFFAOYSA-N
XLogP3.27
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 135433815
CID 135433815
CID 44291131
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CID 135926104
CID 135926104
CID 136126665
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CID 135441025
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CID 54703047
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CID 23516989
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CID 44433608
CID 44433608

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one (CID 135421575) is 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one is CCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one?
The InChIKey is BASIMYUONZEVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-21-14-10-6-3-7-11(14)16(22)15(18(21)23)17-19-12-8-4-5-9-13(12)20-17/h3-10,22H,2H2,1H3,(H,19,20).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one?
3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.27, 2 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)-1-ethyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 135421575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).