ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate

C18H24ClN3O3 — CID 2998766

IUPACethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1
InChIInChI=1S/C18H24ClN3O3/c1-2-25-18(24)13-5-7-21(8-6-13)12-17-20-15-4-3-14(19)11-16(15)22(17)9-10-23/h3-4,11,13,23H,2,5-10,12H2,1H3
InChIKeyZTSAZDXCGUTOHJ-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.46
Rot. Bonds6

About ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate (PubChem CID 2998766) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate
PubChem CID2998766
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Nameethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1
InChIInChI=1S/C18H24ClN3O3/c1-2-25-18(24)13-5-7-21(8-6-13)12-17-20-15-4-3-14(19)11-16(15)22(17)9-10-23/h3-4,11,13,23H,2,5-10,12H2,1H3
InChIKeyZTSAZDXCGUTOHJ-UHFFFAOYSA-N
XLogP2.46
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate (CID 2998766) is ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1.
What is the InChIKey of ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate?
The InChIKey is ZTSAZDXCGUTOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-2-25-18(24)13-5-7-21(8-6-13)12-17-20-15-4-3-14(19)11-16(15)22(17)9-10-23/h3-4,11,13,23H,2,5-10,12H2,1H3.
What are the key properties of ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate has a molecular weight of 365.86 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 2998766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).