2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid

C19H20N2O3 — CID 10245690

IUPAC2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid
SMILESCC(C)(C)c1ccc2nc(-c3ccccc3)n(OCC(=O)O)c2c1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)14-9-10-15-16(11-14)21(24-12-17(22)23)18(20-15)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeySLPCJCRRMATKRK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.51
Rot. Bonds4

About 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid

2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid (PubChem CID 10245690) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid
PubChem CID10245690
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid
SMILESCC(C)(C)c1ccc2nc(-c3ccccc3)n(OCC(=O)O)c2c1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)14-9-10-15-16(11-14)21(24-12-17(22)23)18(20-15)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeySLPCJCRRMATKRK-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid?
The IUPAC name of 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid (CID 10245690) is 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid?
The canonical SMILES for 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid is CC(C)(C)c1ccc2nc(-c3ccccc3)n(OCC(=O)O)c2c1.
What is the InChIKey of 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid?
The InChIKey is SLPCJCRRMATKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2,3)14-9-10-15-16(11-14)21(24-12-17(22)23)18(20-15)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid?
2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid has a molecular weight of 324.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid is sourced from PubChem (CID 10245690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).