2-(6-chloro-1-methylbenzimidazol-2-yl)phenol

C14H11ClN2O — CID 137002817

IUPAC2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccccc2O)nc2ccc(Cl)cc21
InChIInChI=1S/C14H11ClN2O/c1-17-12-8-9(15)6-7-11(12)16-14(17)10-4-2-3-5-13(10)18/h2-8,18H,1H3
InChIKeyMYHQDLFNNKIBJL-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.60
Rot. Bonds1

About 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol

2-(6-chloro-1-methylbenzimidazol-2-yl)phenol (PubChem CID 137002817) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
PubChem CID137002817
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccccc2O)nc2ccc(Cl)cc21
InChIInChI=1S/C14H11ClN2O/c1-17-12-8-9(15)6-7-11(12)16-14(17)10-4-2-3-5-13(10)18/h2-8,18H,1H3
InChIKeyMYHQDLFNNKIBJL-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol (CID 137002817) is 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol is Cn1c(-c2ccccc2O)nc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol?
The InChIKey is MYHQDLFNNKIBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-17-12-8-9(15)6-7-11(12)16-14(17)10-4-2-3-5-13(10)18/h2-8,18H,1H3.
What are the key properties of 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol?
2-(6-chloro-1-methylbenzimidazol-2-yl)phenol has a molecular weight of 258.71 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 137002817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).