[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol

C15H14N2OS — CID 112630397

IUPAC[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2OS/c18-9-11-5-7-12(8-6-11)10-19-15-16-13-3-1-2-4-14(13)17-15/h1-8,18H,9-10H2,(H,16,17)
InChIKeyHASMKOZCJSLCDU-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.35
Rot. Bonds4

About [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol

[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol (PubChem CID 112630397) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
PubChem CID112630397
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2OS/c18-9-11-5-7-12(8-6-11)10-19-15-16-13-3-1-2-4-14(13)17-15/h1-8,18H,9-10H2,(H,16,17)
InChIKeyHASMKOZCJSLCDU-UHFFFAOYSA-N
XLogP3.35
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 11822979
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 78774579
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 145489513
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
CID 2827673
5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxyaniline
CID 28550566
2-[(4-benzylsulfanyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 54362469
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide
CID 4033164
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24542842

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol?
The IUPAC name of [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol (CID 112630397) is [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol?
The canonical SMILES for [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol is OCc1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol?
The InChIKey is HASMKOZCJSLCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-9-11-5-7-12(8-6-11)10-19-15-16-13-3-1-2-4-14(13)17-15/h1-8,18H,9-10H2,(H,16,17).
What are the key properties of [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol?
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol has a molecular weight of 270.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol is sourced from PubChem (CID 112630397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).