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

C16H15ClN2O2 — CID 136822282

IUPAC2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
SMILESCCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O
InChIInChI=1S/C16H15ClN2O2/c1-3-21-14-8-10(7-11(17)15(14)20)16-18-12-5-4-9(2)6-13(12)19-16/h4-8,20H,3H2,1-2H3,(H,18,19)
InChIKeyFVYRMZKUCIQYPB-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.30
Rot. Bonds3

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

2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol (PubChem CID 136822282) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
PubChem CID136822282
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
SMILESCCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O
InChIInChI=1S/C16H15ClN2O2/c1-3-21-14-8-10(7-11(17)15(14)20)16-18-12-5-4-9(2)6-13(12)19-16/h4-8,20H,3H2,1-2H3,(H,18,19)
InChIKeyFVYRMZKUCIQYPB-UHFFFAOYSA-N
XLogP4.30
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol (CID 136822282) is 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol is CCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol?
The InChIKey is FVYRMZKUCIQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-3-21-14-8-10(7-11(17)15(14)20)16-18-12-5-4-9(2)6-13(12)19-16/h4-8,20H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol?
2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol has a molecular weight of 302.76 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 136822282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).