ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate

C15H18N2O3 — CID 79471720

IUPACethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3ccccc3n2CCO)CC1
InChIInChI=1S/C15H18N2O3/c1-2-20-14(19)15(7-8-15)13-16-11-5-3-4-6-12(11)17(13)9-10-18/h3-6,18H,2,7-10H2,1H3
InChIKeyXHKQCNSHUKMXQF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.62
Rot. Bonds5

About ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate

ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate (PubChem CID 79471720) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
PubChem CID79471720
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3ccccc3n2CCO)CC1
InChIInChI=1S/C15H18N2O3/c1-2-20-14(19)15(7-8-15)13-16-11-5-3-4-6-12(11)17(13)9-10-18/h3-6,18H,2,7-10H2,1H3
InChIKeyXHKQCNSHUKMXQF-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate (CID 79471720) is ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc3ccccc3n2CCO)CC1.
What is the InChIKey of ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate?
The InChIKey is XHKQCNSHUKMXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-20-14(19)15(7-8-15)13-16-11-5-3-4-6-12(11)17(13)9-10-18/h3-6,18H,2,7-10H2,1H3.
What are the key properties of ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate?
ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79471720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).