6-methyl-2-pyridin-4-yl-1H-benzimidazole

C13H11N3 — CID 924714

IUPAC6-methyl-2-pyridin-4-yl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C13H11N3/c1-9-2-3-11-12(8-9)16-13(15-11)10-4-6-14-7-5-10/h2-8H,1H3,(H,15,16)
InChIKeyVSAHWCWASCZTME-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.93
Rot. Bonds1

About 6-methyl-2-pyridin-4-yl-1H-benzimidazole

6-methyl-2-pyridin-4-yl-1H-benzimidazole (PubChem CID 924714) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methyl-2-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-pyridin-4-yl-1H-benzimidazole
PubChem CID924714
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name6-methyl-2-pyridin-4-yl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C13H11N3/c1-9-2-3-11-12(8-9)16-13(15-11)10-4-6-14-7-5-10/h2-8H,1H3,(H,15,16)
InChIKeyVSAHWCWASCZTME-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 6-methyl-2-pyridin-4-yl-1H-benzimidazole (CID 924714) is 6-methyl-2-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-pyridin-4-yl-1H-benzimidazole is Cc1ccc2nc(-c3ccncc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-pyridin-4-yl-1H-benzimidazole?
The InChIKey is VSAHWCWASCZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-2-3-11-12(8-9)16-13(15-11)10-4-6-14-7-5-10/h2-8H,1H3,(H,15,16).
What are the key properties of 6-methyl-2-pyridin-4-yl-1H-benzimidazole?
6-methyl-2-pyridin-4-yl-1H-benzimidazole has a molecular weight of 209.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 924714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).