[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol

C16H14N4O2 — CID 816966

IUPAC[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(-c3ccc4nc(CO)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C16H14N4O2/c21-7-15-17-11-3-1-9(5-13(11)19-15)10-2-4-12-14(6-10)20-16(8-22)18-12/h1-6,21-22H,7-8H2,(H,17,19)(H,18,20)
InChIKeyPBEYJVTZUVBKQF-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.09
Rot. Bonds3

About [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol

[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol (PubChem CID 816966) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
PubChem CID816966
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(-c3ccc4nc(CO)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C16H14N4O2/c21-7-15-17-11-3-1-9(5-13(11)19-15)10-2-4-12-14(6-10)20-16(8-22)18-12/h1-6,21-22H,7-8H2,(H,17,19)(H,18,20)
InChIKeyPBEYJVTZUVBKQF-UHFFFAOYSA-N
XLogP2.09
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol
CID 50965548
[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
CID 1080107
2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
CID 126561262
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-(hydroxymethyl)-3H-benzimidazole-5-sulfonic acid chloride
CID 43829262
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920
3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
CID 71241541
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
CID 5153534
4-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 125442995
[6-(2H-tetrazol-5-yl)-1H-benzimidazol-2-yl]methanethiol;hydrochloride
CID 86623968
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256

Frequently Asked Questions

What is the IUPAC name of [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol (CID 816966) is [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol is OCc1nc2ccc(-c3ccc4nc(CO)[nH]c4c3)cc2[nH]1.
What is the InChIKey of [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol?
The InChIKey is PBEYJVTZUVBKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-7-15-17-11-3-1-9(5-13(11)19-15)10-2-4-12-14(6-10)20-16(8-22)18-12/h1-6,21-22H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol?
[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol has a molecular weight of 294.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 816966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).