1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol

C13H13N3O — CID 155929609

IUPAC1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol
SMILESCN1c2ccccc2N(c2ccccn2)C1O
InChIInChI=1S/C13H13N3O/c1-15-10-6-2-3-7-11(10)16(13(15)17)12-8-4-5-9-14-12/h2-9,13,17H,1H3
InChIKeyVWWWFJDUQQKAKP-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.95
Rot. Bonds1

About 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol

1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol (PubChem CID 155929609) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol.

Molecular Properties

Compound Name1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol
PubChem CID155929609
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol
SMILESCN1c2ccccc2N(c2ccccn2)C1O
InChIInChI=1S/C13H13N3O/c1-15-10-6-2-3-7-11(10)16(13(15)17)12-8-4-5-9-14-12/h2-9,13,17H,1H3
InChIKeyVWWWFJDUQQKAKP-UHFFFAOYSA-N
XLogP1.95
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70463289
3-(hydroxymethyl)-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 76707461
2-(3-pyridin-2-yl-2H-imidazol-1-yl)pyridine;hydrochloride
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(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol?
The IUPAC name of 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol (CID 155929609) is 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol.
What is the SMILES notation for 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol?
The canonical SMILES for 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol is CN1c2ccccc2N(c2ccccn2)C1O.
What is the InChIKey of 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol?
The InChIKey is VWWWFJDUQQKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-15-10-6-2-3-7-11(10)16(13(15)17)12-8-4-5-9-14-12/h2-9,13,17H,1H3.
What are the key properties of 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol?
1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol has a molecular weight of 227.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol is sourced from PubChem (CID 155929609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).