2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

C15H13Cl2N3O — CID 90644774

IUPAC2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nc2ccccc2n1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c16-9-5-6-10(11(17)7-9)14(21)8-20-13-4-2-1-3-12(13)19-15(20)18/h1-7,14,21H,8H2,(H2,18,19)
InChIKeyQGCJUDXMBSEEBD-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 90644774) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID90644774
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nc2ccccc2n1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c16-9-5-6-10(11(17)7-9)14(21)8-20-13-4-2-1-3-12(13)19-15(20)18/h1-7,14,21H,8H2,(H2,18,19)
InChIKeyQGCJUDXMBSEEBD-UHFFFAOYSA-N
XLogP3.66
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 90644774) is 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is Nc1nc2ccccc2n1CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is QGCJUDXMBSEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-9-5-6-10(11(17)7-9)14(21)8-20-13-4-2-1-3-12(13)19-15(20)18/h1-7,14,21H,8H2,(H2,18,19).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 322.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 90644774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).