2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol

C13H8Cl2N2O — CID 136661652

IUPAC2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C13H8Cl2N2O/c14-7-5-9(15)12-10(6-7)16-13(17-12)8-3-1-2-4-11(8)18/h1-6,18H,(H,16,17)
InChIKeyCQHBRALNQMBRIJ-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.24
Rot. Bonds1

About 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol

2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol (PubChem CID 136661652) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol
PubChem CID136661652
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C13H8Cl2N2O/c14-7-5-9(15)12-10(6-7)16-13(17-12)8-3-1-2-4-11(8)18/h1-6,18H,(H,16,17)
InChIKeyCQHBRALNQMBRIJ-UHFFFAOYSA-N
XLogP4.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol (CID 136661652) is 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol is Oc1ccccc1-c1nc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol?
The InChIKey is CQHBRALNQMBRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c14-7-5-9(15)12-10(6-7)16-13(17-12)8-3-1-2-4-11(8)18/h1-6,18H,(H,16,17).
What are the key properties of 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol?
2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol has a molecular weight of 279.13 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 136661652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).