2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol

C17H19N3O — CID 107272675

IUPAC2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol
SMILESNc1ccccc1CCc1nc2ccccc2n1CCO
InChIInChI=1S/C17H19N3O/c18-14-6-2-1-5-13(14)9-10-17-19-15-7-3-4-8-16(15)20(17)11-12-21/h1-8,21H,9-12,18H2
InChIKeyINLLEUJWIKWNFY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol

2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol (PubChem CID 107272675) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol
PubChem CID107272675
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol
SMILESNc1ccccc1CCc1nc2ccccc2n1CCO
InChIInChI=1S/C17H19N3O/c18-14-6-2-1-5-13(14)9-10-17-19-15-7-3-4-8-16(15)20(17)11-12-21/h1-8,21H,9-12,18H2
InChIKeyINLLEUJWIKWNFY-UHFFFAOYSA-N
XLogP2.40
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-[2-(2-aminophenyl)ethyl]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

2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
CID 79750873
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol
CID 2772843
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethanol
CID 19242359

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol (CID 107272675) is 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol is Nc1ccccc1CCc1nc2ccccc2n1CCO.
What is the InChIKey of 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol?
The InChIKey is INLLEUJWIKWNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-14-6-2-1-5-13(14)9-10-17-19-15-7-3-4-8-16(15)20(17)11-12-21/h1-8,21H,9-12,18H2.
What are the key properties of 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol?
2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol has a molecular weight of 281.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 107272675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).