5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol

C13H18N2O2S — CID 62229190

IUPAC5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
SMILESCOc1ccc2nc(SCCCCCO)[nH]c2c1
InChIInChI=1S/C13H18N2O2S/c1-17-10-5-6-11-12(9-10)15-13(14-11)18-8-4-2-3-7-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyWRVCXUNGBAEYMG-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.83
Rot. Bonds7

About 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol

5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol (PubChem CID 62229190) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
PubChem CID62229190
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
SMILESCOc1ccc2nc(SCCCCCO)[nH]c2c1
InChIInChI=1S/C13H18N2O2S/c1-17-10-5-6-11-12(9-10)15-13(14-11)18-8-4-2-3-7-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyWRVCXUNGBAEYMG-UHFFFAOYSA-N
XLogP2.83
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
N'-hydroxy-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanimidamide
CID 76905937
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoic acid;hydrobromide
CID 141040481
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxyethyl)butan-1-amine
CID 62585236
2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 106810924
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
N-ethyl-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-2-amine
CID 64647947
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62583196
2-(2-azidoethylsulfanyl)-6-methoxy-1H-benzimidazole
CID 61397241
N-(cyclopropylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62583195
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol (CID 62229190) is 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol is COc1ccc2nc(SCCCCCO)[nH]c2c1.
What is the InChIKey of 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol?
The InChIKey is WRVCXUNGBAEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-17-10-5-6-11-12(9-10)15-13(14-11)18-8-4-2-3-7-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol?
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 62229190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).