4-(6-chloro-1H-benzimidazol-2-yl)phenol

C13H9ClN2O — CID 1211924

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C13H9ClN2O/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(17)5-2-8/h1-7,17H,(H,15,16)
InChIKeyGGUHTGJGVJGBEI-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.59
Rot. Bonds1

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

4-(6-chloro-1H-benzimidazol-2-yl)phenol (PubChem CID 1211924) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)phenol
PubChem CID1211924
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C13H9ClN2O/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(17)5-2-8/h1-7,17H,(H,15,16)
InChIKeyGGUHTGJGVJGBEI-UHFFFAOYSA-N
XLogP3.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)phenol (CID 1211924) is 4-(6-chloro-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)phenol is Oc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)phenol?
The InChIKey is GGUHTGJGVJGBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(17)5-2-8/h1-7,17H,(H,15,16).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)phenol?
4-(6-chloro-1H-benzimidazol-2-yl)phenol has a molecular weight of 244.68 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 1211924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).