1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol

C15H20N2OS — CID 65214051

IUPAC1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
SMILESCc1ccc2nc(SCC3(O)CCCCC3)[nH]c2c1
InChIInChI=1S/C15H20N2OS/c1-11-5-6-12-13(9-11)17-14(16-12)19-10-15(18)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyUMNPIPGYCHFLBU-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.66
Rot. Bonds3

About 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol

1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol (PubChem CID 65214051) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
PubChem CID65214051
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
SMILESCc1ccc2nc(SCC3(O)CCCCC3)[nH]c2c1
InChIInChI=1S/C15H20N2OS/c1-11-5-6-12-13(9-11)17-14(16-12)19-10-15(18)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyUMNPIPGYCHFLBU-UHFFFAOYSA-N
XLogP3.66
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 7247473
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
CID 923736
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 23849471
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 62875775
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol (CID 65214051) is 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol is Cc1ccc2nc(SCC3(O)CCCCC3)[nH]c2c1.
What is the InChIKey of 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol?
The InChIKey is UMNPIPGYCHFLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-5-6-12-13(9-11)17-14(16-12)19-10-15(18)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,16,17).
What are the key properties of 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol?
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 65214051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).