2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid

C15H11ClN2O3 — CID 45408654

IUPAC2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H11ClN2O3/c16-10-3-6-12-13(7-10)18-15(17-12)9-1-4-11(5-2-9)21-8-14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyUQKJZIAMLOXDBN-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.35
Rot. Bonds4

About 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid

2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid (PubChem CID 45408654) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
PubChem CID45408654
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H11ClN2O3/c16-10-3-6-12-13(7-10)18-15(17-12)9-1-4-11(5-2-9)21-8-14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyUQKJZIAMLOXDBN-UHFFFAOYSA-N
XLogP3.35
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369039
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
CID 136703861
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439
ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate
CID 103596999
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid (CID 45408654) is 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid?
The InChIKey is UQKJZIAMLOXDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-10-3-6-12-13(7-10)18-15(17-12)9-1-4-11(5-2-9)21-8-14(19)20/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid?
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid has a molecular weight of 302.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 45408654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).