ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate

C23H22N2O3 — CID 5049740

IUPACethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2CC
InChIInChI=1S/C23H22N2O3/c1-3-25-21-12-10-18(23(26)27-4-2)14-20(21)24-22(25)15-28-19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,3-4,15H2,1-2H3
InChIKeyGWBUAFKAMVXNPW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.97
Rot. Bonds6

About ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate

ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate (PubChem CID 5049740) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate
PubChem CID5049740
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Nameethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2CC
InChIInChI=1S/C23H22N2O3/c1-3-25-21-12-10-18(23(26)27-4-2)14-20(21)24-22(25)15-28-19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,3-4,15H2,1-2H3
InChIKeyGWBUAFKAMVXNPW-UHFFFAOYSA-N
XLogP4.97
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate (CID 5049740) is ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2CC.
What is the InChIKey of ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate?
The InChIKey is GWBUAFKAMVXNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-25-21-12-10-18(23(26)27-4-2)14-20(21)24-22(25)15-28-19-11-9-16-7-5-6-8-17(16)13-19/h5-14H,3-4,15H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate?
ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 5049740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).