2-pyridin-1-ium-3-yl-1H-benzimidazole

C12H10N3+ — CID 3421293

IUPAC2-pyridin-1-ium-3-yl-1H-benzimidazole
SMILESc1c[nH+]cc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)/p+1
InChIKeyBOUOQESVDURNSB-UHFFFAOYSA-O
MW196.23 g/mol
LogP2.04
Rot. Bonds1

About 2-pyridin-1-ium-3-yl-1H-benzimidazole

2-pyridin-1-ium-3-yl-1H-benzimidazole (PubChem CID 3421293) has the molecular formula C12H10N3+ and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-pyridin-1-ium-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-pyridin-1-ium-3-yl-1H-benzimidazole
PubChem CID3421293
Molecular FormulaC12H10N3+
Molecular Weight196.23 g/mol
Exact Mass196.09
IUPAC Name2-pyridin-1-ium-3-yl-1H-benzimidazole
SMILESc1c[nH+]cc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)/p+1
InChIKeyBOUOQESVDURNSB-UHFFFAOYSA-O
XLogP2.04
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-1-ium-3-yl-1H-benzimidazole?
The IUPAC name of 2-pyridin-1-ium-3-yl-1H-benzimidazole (CID 3421293) is 2-pyridin-1-ium-3-yl-1H-benzimidazole.
What is the SMILES notation for 2-pyridin-1-ium-3-yl-1H-benzimidazole?
The canonical SMILES for 2-pyridin-1-ium-3-yl-1H-benzimidazole is c1c[nH+]cc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-pyridin-1-ium-3-yl-1H-benzimidazole?
The InChIKey is BOUOQESVDURNSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)/p+1.
What are the key properties of 2-pyridin-1-ium-3-yl-1H-benzimidazole?
2-pyridin-1-ium-3-yl-1H-benzimidazole has a molecular weight of 196.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-1-ium-3-yl-1H-benzimidazole is sourced from PubChem (CID 3421293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).