2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol

C15H12Cl3N3O — CID 90644765

IUPAC2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol
SMILESNc1nc2ccc(Cl)cc2n1CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl3N3O/c16-8-4-5-11-12(6-8)21(15(19)20-11)7-13(22)9-2-1-3-10(17)14(9)18/h1-6,13,22H,7H2,(H2,19,20)
InChIKeyWADBSUZEKGZBKU-UHFFFAOYSA-N
MW356.64 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol

2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol (PubChem CID 90644765) has the molecular formula C15H12Cl3N3O and a molecular weight of 356.64 g/mol. Its IUPAC name is 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol
PubChem CID90644765
Molecular FormulaC15H12Cl3N3O
Molecular Weight356.64 g/mol
Exact Mass355.00
IUPAC Name2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol
SMILESNc1nc2ccc(Cl)cc2n1CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl3N3O/c16-8-4-5-11-12(6-8)21(15(19)20-11)7-13(22)9-2-1-3-10(17)14(9)18/h1-6,13,22H,7H2,(H2,19,20)
InChIKeyWADBSUZEKGZBKU-UHFFFAOYSA-N
XLogP4.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol (CID 90644765) is 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol is Nc1nc2ccc(Cl)cc2n1CC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol?
The InChIKey is WADBSUZEKGZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3O/c16-8-4-5-11-12(6-8)21(15(19)20-11)7-13(22)9-2-1-3-10(17)14(9)18/h1-6,13,22H,7H2,(H2,19,20).
What are the key properties of 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol?
2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol has a molecular weight of 356.64 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol is sourced from PubChem (CID 90644765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).