2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol

C15H17N3OS — CID 60980790

IUPAC2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol
SMILESCc1sc(N)c(-c2nc3ccccc3n2CCO)c1C
InChIInChI=1S/C15H17N3OS/c1-9-10(2)20-14(16)13(9)15-17-11-5-3-4-6-12(11)18(15)7-8-19/h3-6,19H,7-8,16H2,1-2H3
InChIKeyWNRAKLFSZLJQGK-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.96
Rot. Bonds3

About 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol

2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol (PubChem CID 60980790) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol
PubChem CID60980790
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol
SMILESCc1sc(N)c(-c2nc3ccccc3n2CCO)c1C
InChIInChI=1S/C15H17N3OS/c1-9-10(2)20-14(16)13(9)15-17-11-5-3-4-6-12(11)18(15)7-8-19/h3-6,19H,7-8,16H2,1-2H3
InChIKeyWNRAKLFSZLJQGK-UHFFFAOYSA-N
XLogP2.96
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol 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

3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 43325877
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[2-(5-amino-1-methylpyrazol-4-yl)benzimidazol-1-yl]ethanol
CID 54880379
2-[2-(5-amino-2-methylphenyl)benzimidazol-1-yl]ethanol
CID 63652268
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60788262
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-[2-(2-amino-3-bromophenyl)benzimidazol-1-yl]ethanol
CID 63112894
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
CID 115144108
2-[2-(2-aminopentan-2-yl)benzimidazol-1-yl]ethanol
CID 54880285
2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol
CID 82149308
2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
CID 106108732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol (CID 60980790) is 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol is Cc1sc(N)c(-c2nc3ccccc3n2CCO)c1C.
What is the InChIKey of 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol?
The InChIKey is WNRAKLFSZLJQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-10(2)20-14(16)13(9)15-17-11-5-3-4-6-12(11)18(15)7-8-19/h3-6,19H,7-8,16H2,1-2H3.
What are the key properties of 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol?
2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol has a molecular weight of 287.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 60980790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).