[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride

C104H89ClN24O6S2 — CID 159144702

IUPAC[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride
SMILESCS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cccc2[nH]c(-c3ccccn3)nc12.Cl.OCc1cc2nc(-c3ccccn3)[nH]c2cc1CO.OCc1ccc2nc(-c3ccccn3)[nH]c2c1.Oc1ccc2nc(-c3ccccn3)[nH]c2c1.SCc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N3O2.C13H11N3O2S.C13H11N3O.C13H11N3S.3C13H11N3.C12H9N3O.ClH/c18-7-9-5-12-13(6-10(9)8-19)17-14(16-12)11-3-1-2-4-15-11;1-19(17,18)9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;2*17-8-9-4-5-10-12(7-9)16-13(15-10)11-3-1-2-6-14-11;1-9-5-4-7-10-12(9)16-13(15-10)11-6-2-3-8-14-11;2*1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;16-8-4-5-9-11(7-8)15-12(14-9)10-3-1-2-6-13-10;/h1-6,18-19H,7-8H2,(H,16,17);2-8H,1H3,(H,15,16);2*1-7,17H,8H2,(H,15,16);3*2-8H,1H3,(H,15,16);1-7,16H,(H,14,15);1H
InChIKeyUHAZHEIVLPLODT-UHFFFAOYSA-N
MW1870.60 g/mol
LogP20.36
Rot. Bonds13

About [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride

[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride (PubChem CID 159144702) has the molecular formula C104H89ClN24O6S2 and a molecular weight of 1870.60 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride
PubChem CID159144702
Molecular FormulaC104H89ClN24O6S2
Molecular Weight1870.60 g/mol
Exact Mass1868.65
IUPAC Name[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride
SMILESCS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cccc2[nH]c(-c3ccccn3)nc12.Cl.OCc1cc2nc(-c3ccccn3)[nH]c2cc1CO.OCc1ccc2nc(-c3ccccn3)[nH]c2c1.Oc1ccc2nc(-c3ccccn3)[nH]c2c1.SCc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N3O2.C13H11N3O2S.C13H11N3O.C13H11N3S.3C13H11N3.C12H9N3O.ClH/c18-7-9-5-12-13(6-10(9)8-19)17-14(16-12)11-3-1-2-4-15-11;1-19(17,18)9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;2*17-8-9-4-5-10-12(7-9)16-13(15-10)11-3-1-2-6-14-11;1-9-5-4-7-10-12(9)16-13(15-10)11-6-2-3-8-14-11;2*1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;16-8-4-5-9-11(7-8)15-12(14-9)10-3-1-2-6-13-10;/h1-6,18-19H,7-8H2,(H,16,17);2-8H,1H3,(H,15,16);2*1-7,17H,8H2,(H,15,16);3*2-8H,1H3,(H,15,16);1-7,16H,(H,14,15);1H
InChIKeyUHAZHEIVLPLODT-UHFFFAOYSA-N
XLogP20.36
TPSA447.62 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001870.60
LogP ≤ 520.36
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride with MolForge

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Related Compounds

5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
CID 158484000
5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol
CID 159035598
5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
CID 159390823
2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-3H-benzimidazole-5-carbonitrile;2-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1H-benzimidazol-4-ol;2-(3-amino-6-phenylpyrazin-2-yl)-1H-benzimidazol-4-ol;3-(1H-benzimidazol-2-yl)-5-phenylpyrazin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 161163420
5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol
CID 161373885
4-ethoxy-2-pyridin-2-yl-1H-benzimidazole;6-ethoxy-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methoxy-2-pyridin-2-yl-1H-benzimidazole;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;tris((2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol);hydrochloride
CID 161818738

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride?
The IUPAC name of [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride (CID 159144702) is [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride.
What is the SMILES notation for [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride?
The canonical SMILES for [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride is CS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cccc2[nH]c(-c3ccccn3)nc12.Cl.OCc1cc2nc(-c3ccccn3)[nH]c2cc1CO.OCc1ccc2nc(-c3ccccn3)[nH]c2c1.Oc1ccc2nc(-c3ccccn3)[nH]c2c1.SCc1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride?
The InChIKey is UHAZHEIVLPLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.C13H11N3O2S.C13H11N3O.C13H11N3S.3C13H11N3.C12H9N3O.ClH/c18-7-9-5-12-13(6-10(9)8-19)17-14(16-12)11-3-1-2-4-15-11;1-19(17,18)9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;2*17-8-9-4-5-10-12(7-9)16-13(15-10)11-3-1-2-6-14-11;1-9-5-4-7-10-12(9)16-13(15-10)11-6-2-3-8-14-11;2*1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;16-8-4-5-9-11(7-8)15-12(14-9)10-3-1-2-6-13-10;/h1-6,18-19H,7-8H2,(H,16,17);2-8H,1H3,(H,15,16);2*1-7,17H,8H2,(H,15,16);3*2-8H,1H3,(H,15,16);1-7,16H,(H,14,15);1H.
What are the key properties of [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride?
[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride has a molecular weight of 1870.60 g/mol, XLogP of 20.36, 13 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-3H-benzimidazol-5-ol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;hydrochloride is sourced from PubChem (CID 159144702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).