3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one

C13H11N3O2 — CID 146172820

IUPAC3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
SMILESCOc1cc(-n2c(=O)[nH]c3ccccc32)ccn1
InChIInChI=1S/C13H11N3O2/c1-18-12-8-9(6-7-14-12)16-11-5-3-2-4-10(11)15-13(16)17/h2-8H,1H3,(H,15,17)
InChIKeyUIZTWGWETNFCGV-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds2

About 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one

3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one (PubChem CID 146172820) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
PubChem CID146172820
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
SMILESCOc1cc(-n2c(=O)[nH]c3ccccc32)ccn1
InChIInChI=1S/C13H11N3O2/c1-18-12-8-9(6-7-14-12)16-11-5-3-2-4-10(11)15-13(16)17/h2-8H,1H3,(H,15,17)
InChIKeyUIZTWGWETNFCGV-UHFFFAOYSA-N
XLogP1.72
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one
CID 19867709
3-(6-bromo-3-pyridinyl)-1H-benzimidazol-2-one
CID 146172987
3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
CID 151138139
6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one
CID 110491432
3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one
CID 174749745
3-quinolin-3-yl-1H-benzimidazol-2-one
CID 150795501
methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate
CID 178035448
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
3-(6-chloropyrimidin-4-yl)-1H-benzimidazol-2-one
CID 87584662
3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one
CID 171746097
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 82513986
3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207571

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one (CID 146172820) is 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one is COc1cc(-n2c(=O)[nH]c3ccccc32)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one?
The InChIKey is UIZTWGWETNFCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-12-8-9(6-7-14-12)16-11-5-3-2-4-10(11)15-13(16)17/h2-8H,1H3,(H,15,17).
What are the key properties of 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one?
3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 146172820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).