2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol

C11H15N3OS — CID 64806306

IUPAC2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1ccc2nc(SCC(N)CO)[nH]c2c1
InChIInChI=1S/C11H15N3OS/c1-7-2-3-9-10(4-7)14-11(13-9)16-6-8(12)5-15/h2-4,8,15H,5-6,12H2,1H3,(H,13,14)
InChIKeyUCBMVIAHHFBMPE-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol

2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 64806306) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
PubChem CID64806306
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1ccc2nc(SCC(N)CO)[nH]c2c1
InChIInChI=1S/C11H15N3OS/c1-7-2-3-9-10(4-7)14-11(13-9)16-6-8(12)5-15/h2-4,8,15H,5-6,12H2,1H3,(H,13,14)
InChIKeyUCBMVIAHHFBMPE-UHFFFAOYSA-N
XLogP1.28
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-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

ethyl 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875441
3-amino-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64898748
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanenitrile
CID 60656440
methyl 2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875615
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571
2-amino-2-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64806936
2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
CID 923736
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
CID 65214051
3,3,3-trifluoro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]propanenitrile
CID 103371238

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol (CID 64806306) is 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol is Cc1ccc2nc(SCC(N)CO)[nH]c2c1.
What is the InChIKey of 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is UCBMVIAHHFBMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-2-3-9-10(4-7)14-11(13-9)16-6-8(12)5-15/h2-4,8,15H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol?
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64806306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).