2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol

C13H10ClN3O — CID 81431500

IUPAC2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol
SMILESNc1ccc(Cl)c(-c2nc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C13H10ClN3O/c14-10-3-1-7(15)5-9(10)13-16-11-4-2-8(18)6-12(11)17-13/h1-6,18H,15H2,(H,16,17)
InChIKeyMLVGXXCHRWEBCL-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.17
Rot. Bonds1

About 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol

2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol (PubChem CID 81431500) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol
PubChem CID81431500
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol
SMILESNc1ccc(Cl)c(-c2nc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C13H10ClN3O/c14-10-3-1-7(15)5-9(10)13-16-11-4-2-8(18)6-12(11)17-13/h1-6,18H,15H2,(H,16,17)
InChIKeyMLVGXXCHRWEBCL-UHFFFAOYSA-N
XLogP3.17
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol (CID 81431500) is 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol is Nc1ccc(Cl)c(-c2nc3ccc(O)cc3[nH]2)c1.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol?
The InChIKey is MLVGXXCHRWEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-10-3-1-7(15)5-9(10)13-16-11-4-2-8(18)6-12(11)17-13/h1-6,18H,15H2,(H,16,17).
What are the key properties of 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol?
2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol has a molecular weight of 259.70 g/mol, XLogP of 3.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).