trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol

C13H16N2OS — CID 102735731

IUPACtrans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol
SMILESCc1ccc2nc(S[C@@H]3CCC[C@H]3O)[nH]c2c1
InChIInChI=1S/C13H16N2OS/c1-8-5-6-9-10(7-8)15-13(14-9)17-12-4-2-3-11(12)16/h5-7,11-12,16H,2-4H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyQNYZJICNXYWUMT-VXGBXAGGSA-N
MW248.35 g/mol
LogP2.88
Rot. Bonds2

About trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol

trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol (PubChem CID 102735731) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol
PubChem CID102735731
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Nametrans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol
SMILESCc1ccc2nc(S[C@@H]3CCC[C@H]3O)[nH]c2c1
InChIInChI=1S/C13H16N2OS/c1-8-5-6-9-10(7-8)15-13(14-9)17-12-4-2-3-11(12)16/h5-7,11-12,16H,2-4H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyQNYZJICNXYWUMT-VXGBXAGGSA-N
XLogP2.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid
CID 80997558
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]azepan-2-one
CID 17461847
(3R)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]oxolan-2-one
CID 7247501
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 5121963
1-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 79646456
(3S,5R)-5-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]oxolan-2-one
CID 51458074
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 23849471
(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
CID 65214051

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol (CID 102735731) is trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol is Cc1ccc2nc(S[C@@H]3CCC[C@H]3O)[nH]c2c1.
What is the InChIKey of trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol?
The InChIKey is QNYZJICNXYWUMT-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-5-6-9-10(7-8)15-13(14-9)17-12-4-2-3-11(12)16/h5-7,11-12,16H,2-4H2,1H3,(H,14,15)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol?
trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol is sourced from PubChem (CID 102735731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).