1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol

C12H16N2OS — CID 116831151

IUPAC1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H16N2OS/c1-8-13-10-4-3-9(7-11(10)14-8)12(15)5-6-16-2/h3-4,7,12,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyJUVNOZJYYFAIEH-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol

1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol (PubChem CID 116831151) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol
PubChem CID116831151
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H16N2OS/c1-8-13-10-4-3-9(7-11(10)14-8)12(15)5-6-16-2/h3-4,7,12,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyJUVNOZJYYFAIEH-UHFFFAOYSA-N
XLogP2.66
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
3-[(2-methyl-3H-benzimidazol-5-yl)sulfanyl]propanoic acid
CID 116852883

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol (CID 116831151) is 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol is CSCCC(O)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol?
The InChIKey is JUVNOZJYYFAIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-13-10-4-3-9(7-11(10)14-8)12(15)5-6-16-2/h3-4,7,12,15H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol?
1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol has a molecular weight of 236.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3H-benzimidazol-5-yl)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 116831151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).