2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid

C15H11ClN2O3 — CID 5189790

IUPAC2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid
SMILESO=C(O)COn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2O3/c16-11-6-7-12-13(8-11)18(21-9-14(19)20)15(17-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
InChIKeyKWURJTBVNPJIGP-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.87
Rot. Bonds4

About 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid

2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid (PubChem CID 5189790) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid
PubChem CID5189790
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid
SMILESO=C(O)COn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2O3/c16-11-6-7-12-13(8-11)18(21-9-14(19)20)15(17-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
InChIKeyKWURJTBVNPJIGP-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid?
The IUPAC name of 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid (CID 5189790) is 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid?
The canonical SMILES for 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid is O=C(O)COn1c(-c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid?
The InChIKey is KWURJTBVNPJIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-11-6-7-12-13(8-11)18(21-9-14(19)20)15(17-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20).
What are the key properties of 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid?
2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid has a molecular weight of 302.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxyacetic acid is sourced from PubChem (CID 5189790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).