(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol

C11H14N2OS — CID 67563513

IUPAC(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
SMILESCSc1nc2ccccc2n1C[C@@H](C)O
InChIInChI=1S/C11H14N2OS/c1-8(14)7-13-10-6-4-3-5-9(10)12-11(13)15-2/h3-6,8,14H,7H2,1-2H3/t8-/m1/s1
InChIKeyFNAJPPGGGHVHLB-MRVPVSSYSA-N
MW222.31 g/mol
LogP2.14
Rot. Bonds3

About (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol

(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol (PubChem CID 67563513) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
PubChem CID67563513
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
SMILESCSc1nc2ccccc2n1C[C@@H](C)O
InChIInChI=1S/C11H14N2OS/c1-8(14)7-13-10-6-4-3-5-9(10)12-11(13)15-2/h3-6,8,14H,7H2,1-2H3/t8-/m1/s1
InChIKeyFNAJPPGGGHVHLB-MRVPVSSYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 804558
2-[1-(2-methylsulfanylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 113466694
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-methylsulfanyl-1-[[2,4,6-trimethyl-3-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 102098034
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol (CID 67563513) is (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol is CSc1nc2ccccc2n1C[C@@H](C)O.
What is the InChIKey of (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is FNAJPPGGGHVHLB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(14)7-13-10-6-4-3-5-9(10)12-11(13)15-2/h3-6,8,14H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol?
(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 222.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 67563513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).