ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate

C17H24N4O2 — CID 118249961

IUPACethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc2c(N3CCNCC3CC)cccc2[nH]1
InChIInChI=1S/C17H24N4O2/c1-3-12-11-18-8-9-21(12)14-7-5-6-13-17(14)20-15(19-13)10-16(22)23-4-2/h5-7,12,18H,3-4,8-11H2,1-2H3,(H,19,20)
InChIKeyGOFSKEVYDFMRMH-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.86
Rot. Bonds5

About ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate

ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate (PubChem CID 118249961) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate
PubChem CID118249961
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Nameethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc2c(N3CCNCC3CC)cccc2[nH]1
InChIInChI=1S/C17H24N4O2/c1-3-12-11-18-8-9-21(12)14-7-5-6-13-17(14)20-15(19-13)10-16(22)23-4-2/h5-7,12,18H,3-4,8-11H2,1-2H3,(H,19,20)
InChIKeyGOFSKEVYDFMRMH-UHFFFAOYSA-N
XLogP1.86
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate 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 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate (CID 118249961) is ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate is CCOC(=O)Cc1nc2c(N3CCNCC3CC)cccc2[nH]1.
What is the InChIKey of ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate?
The InChIKey is GOFSKEVYDFMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-12-11-18-8-9-21(12)14-7-5-6-13-17(14)20-15(19-13)10-16(22)23-4-2/h5-7,12,18H,3-4,8-11H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate?
ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate has a molecular weight of 316.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate is sourced from PubChem (CID 118249961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).