6-(2-methoxy-3-pyridinyl)-1H-benzimidazole

C13H11N3O — CID 50963824

IUPAC6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
SMILESCOc1ncccc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H11N3O/c1-17-13-10(3-2-6-14-13)9-4-5-11-12(7-9)16-8-15-11/h2-8H,1H3,(H,15,16)
InChIKeyITUFCVHDKCQEKW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole

6-(2-methoxy-3-pyridinyl)-1H-benzimidazole (PubChem CID 50963824) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
PubChem CID50963824
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
SMILESCOc1ncccc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H11N3O/c1-17-13-10(3-2-6-14-13)9-4-5-11-12(7-9)16-8-15-11/h2-8H,1H3,(H,15,16)
InChIKeyITUFCVHDKCQEKW-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
CID 90095154
3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile
CID 139495116
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
5-(2-methoxy-3-pyridinyl)-1H-indazol-3-amine
CID 68739130
3-(4-bromophenyl)-2-methoxypyridine
CID 66862331
2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637897
6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 138051431
5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 56717682
7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole
CID 155384571
[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
CID 90027627
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine
CID 67245959

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole (CID 50963824) is 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole is COc1ncccc1-c1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The InChIKey is ITUFCVHDKCQEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-10(3-2-6-14-13)9-4-5-11-12(7-9)16-8-15-11/h2-8H,1H3,(H,15,16).
What are the key properties of 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
6-(2-methoxy-3-pyridinyl)-1H-benzimidazole has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 50963824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).