ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate

C19H20N2O3 — CID 22464951

IUPACethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate
SMILESCCOC(=O)C(O)c1cccc2[nH]c(CCc3ccccc3)nc12
InChIInChI=1S/C19H20N2O3/c1-2-24-19(23)18(22)14-9-6-10-15-17(14)21-16(20-15)12-11-13-7-4-3-5-8-13/h3-10,18,22H,2,11-12H2,1H3,(H,20,21)
InChIKeyBRJKDBKNFRPLGQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.94
Rot. Bonds6

About ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate

ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate (PubChem CID 22464951) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate
PubChem CID22464951
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate
SMILESCCOC(=O)C(O)c1cccc2[nH]c(CCc3ccccc3)nc12
InChIInChI=1S/C19H20N2O3/c1-2-24-19(23)18(22)14-9-6-10-15-17(14)21-16(20-15)12-11-13-7-4-3-5-8-13/h3-10,18,22H,2,11-12H2,1H3,(H,20,21)
InChIKeyBRJKDBKNFRPLGQ-UHFFFAOYSA-N
XLogP2.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate (CID 22464951) is ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate is CCOC(=O)C(O)c1cccc2[nH]c(CCc3ccccc3)nc12.
What is the InChIKey of ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate?
The InChIKey is BRJKDBKNFRPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-24-19(23)18(22)14-9-6-10-15-17(14)21-16(20-15)12-11-13-7-4-3-5-8-13/h3-10,18,22H,2,11-12H2,1H3,(H,20,21).
What are the key properties of ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate?
ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate has a molecular weight of 324.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate is sourced from PubChem (CID 22464951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).