bis(1H-benzimidazol-2-yl)methanol

C15H12N4O — CID 3747179

IUPACbis(1H-benzimidazol-2-yl)methanol
SMILESOC(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H12N4O/c20-13(14-16-9-5-1-2-6-10(9)17-14)15-18-11-7-3-4-8-12(11)19-15/h1-8,13,20H,(H,16,17)(H,18,19)
InChIKeyYQTOSYMQIFFPKP-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.52
Rot. Bonds2

About bis(1H-benzimidazol-2-yl)methanol

bis(1H-benzimidazol-2-yl)methanol (PubChem CID 3747179) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is bis(1H-benzimidazol-2-yl)methanol.

Molecular Properties

Compound Namebis(1H-benzimidazol-2-yl)methanol
PubChem CID3747179
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Namebis(1H-benzimidazol-2-yl)methanol
SMILESOC(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H12N4O/c20-13(14-16-9-5-1-2-6-10(9)17-14)15-18-11-7-3-4-8-12(11)19-15/h1-8,13,20H,(H,16,17)(H,18,19)
InChIKeyYQTOSYMQIFFPKP-UHFFFAOYSA-N
XLogP2.52
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol
CID 91928092
2-propan-2-yl-1H-benzimidazole
CID 22121
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 2828965
(2R,3S)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 785137
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
CID 82603982
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
CID 132781902
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
(2S,3R,4R,5R)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
CID 165358065
(1R,2R,3S,4S,5S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
CID 131884748

Frequently Asked Questions

What is the IUPAC name of bis(1H-benzimidazol-2-yl)methanol?
The IUPAC name of bis(1H-benzimidazol-2-yl)methanol (CID 3747179) is bis(1H-benzimidazol-2-yl)methanol.
What is the SMILES notation for bis(1H-benzimidazol-2-yl)methanol?
The canonical SMILES for bis(1H-benzimidazol-2-yl)methanol is OC(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of bis(1H-benzimidazol-2-yl)methanol?
The InChIKey is YQTOSYMQIFFPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-13(14-16-9-5-1-2-6-10(9)17-14)15-18-11-7-3-4-8-12(11)19-15/h1-8,13,20H,(H,16,17)(H,18,19).
What are the key properties of bis(1H-benzimidazol-2-yl)methanol?
bis(1H-benzimidazol-2-yl)methanol has a molecular weight of 264.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-benzimidazol-2-yl)methanol is sourced from PubChem (CID 3747179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).