ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate

C18H18N2O3 — CID 73333684

IUPACethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2CCO
InChIInChI=1S/C18H18N2O3/c1-2-23-18(22)14-8-9-16-15(12-14)19-17(20(16)10-11-21)13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3
InChIKeyLVRTXZOTRDCFHT-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.87
Rot. Bonds5

About ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate

ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate (PubChem CID 73333684) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate
PubChem CID73333684
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2CCO
InChIInChI=1S/C18H18N2O3/c1-2-23-18(22)14-8-9-16-15(12-14)19-17(20(16)10-11-21)13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3
InChIKeyLVRTXZOTRDCFHT-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate (CID 73333684) is ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2CCO.
What is the InChIKey of ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate?
The InChIKey is LVRTXZOTRDCFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-23-18(22)14-8-9-16-15(12-14)19-17(20(16)10-11-21)13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3.
What are the key properties of ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate?
ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxyethyl)-2-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 73333684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).