propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate

C20H22N2O3 — CID 16998895

IUPACpropan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(C(C)Oc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-14(2)24-19(23)13-22-18-12-8-7-11-17(18)21-20(22)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3
InChIKeyGWJDUDDHLXAHDM-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.13
Rot. Bonds6

About propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate

propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate (PubChem CID 16998895) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
PubChem CID16998895
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namepropan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(C(C)Oc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-14(2)24-19(23)13-22-18-12-8-7-11-17(18)21-20(22)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3
InChIKeyGWJDUDDHLXAHDM-UHFFFAOYSA-N
XLogP4.13
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
propan-2-yl 2-[2-[1-[[(Z)-3-phenylprop-2-enoyl]amino]ethyl]benzimidazol-1-yl]acetate
CID 16970414
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880
N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide
CID 40704872
propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995553
2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999048
1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
CID 18877735
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
CID 18877755
propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate
CID 16974242

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate (CID 16998895) is propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate is CC(C)OC(=O)Cn1c(C(C)Oc2ccccc2)nc2ccccc21.
What is the InChIKey of propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate?
The InChIKey is GWJDUDDHLXAHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(2)24-19(23)13-22-18-12-8-7-11-17(18)21-20(22)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate?
propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate has a molecular weight of 338.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 16998895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).