1-(4-methylidene-1-pyridinyl)benzimidazole

C13H11N3 — CID 23534275

IUPAC1-(4-methylidene-1-pyridinyl)benzimidazole
SMILESC=C1C=CN(n2cnc3ccccc32)C=C1
InChIInChI=1S/C13H11N3/c1-11-6-8-15(9-7-11)16-10-14-12-4-2-3-5-13(12)16/h2-10H,1H2
InChIKeyMYQWGRSLSIVRST-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.57
Rot. Bonds1

About 1-(4-methylidene-1-pyridinyl)benzimidazole

1-(4-methylidene-1-pyridinyl)benzimidazole (PubChem CID 23534275) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(4-methylidene-1-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-(4-methylidene-1-pyridinyl)benzimidazole
PubChem CID23534275
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-(4-methylidene-1-pyridinyl)benzimidazole
SMILESC=C1C=CN(n2cnc3ccccc32)C=C1
InChIInChI=1S/C13H11N3/c1-11-6-8-15(9-7-11)16-10-14-12-4-2-3-5-13(12)16/h2-10H,1H2
InChIKeyMYQWGRSLSIVRST-UHFFFAOYSA-N
XLogP2.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2-dimethylpropane;1-methylbenzimidazole
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benzimidazole-1-sulfinate
CID 56998741
1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole
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3,7,11-tris(benzimidazol-1-yl)-13-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidene-1-pyridinyl)benzimidazole?
The IUPAC name of 1-(4-methylidene-1-pyridinyl)benzimidazole (CID 23534275) is 1-(4-methylidene-1-pyridinyl)benzimidazole.
What is the SMILES notation for 1-(4-methylidene-1-pyridinyl)benzimidazole?
The canonical SMILES for 1-(4-methylidene-1-pyridinyl)benzimidazole is C=C1C=CN(n2cnc3ccccc32)C=C1.
What is the InChIKey of 1-(4-methylidene-1-pyridinyl)benzimidazole?
The InChIKey is MYQWGRSLSIVRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-11-6-8-15(9-7-11)16-10-14-12-4-2-3-5-13(12)16/h2-10H,1H2.
What are the key properties of 1-(4-methylidene-1-pyridinyl)benzimidazole?
1-(4-methylidene-1-pyridinyl)benzimidazole has a molecular weight of 209.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidene-1-pyridinyl)benzimidazole is sourced from PubChem (CID 23534275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).