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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Related Compounds

2-[(6-chloro-2-phenyl-1H-1,3-benzimidazol-1-yl)oxy]propanoic acid
CID 2764984
2-[(6-nitro-2-phenyl-1H-1,3-benzimidazol-1-yl)oxy]acetic acid
CID 2766807
2-[(6-Chloro-2-phenyl-1-benzimidazolyl)oxy]acetic acid
CID 5189790
N-hydroxy-3-(1-(3-hydroxypropyl)-2-(2-phenylpropyl)-1H-benzo[d]imidazol-5-yl)acrylamide
CID 11188147
(E)-3-(2-benzyl-1-butylbenzimidazol-5-yl)-3-phenylprop-2-enoic acid
CID 44566102
6-Tert-butyl-1-hydroxy-2-phenylbenzimidazole
CID 10084283
(NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine
CID 10445682
2-Ethyl-4-methyl-1-propoxybenzimidazole
CID 467283
2-Ethyl-6-methyl-1-propoxybenzimidazole
CID 467286
1-Ethoxy-2,6-dimethylbenzimidazole
CID 44353674
(E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 11337888
Ethyl 2-(2,5-dimethyl-3-oxidobenzimidazol-3-ium-1-yl)oxyacetate
CID 44412162

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).