ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate

C19H24N4O2 — CID 22625839

IUPACethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc2c(N3CCCCC3)cccc2n1CCC#N
InChIInChI=1S/C19H24N4O2/c1-2-25-18(24)14-17-21-19-15(22-11-4-3-5-12-22)8-6-9-16(19)23(17)13-7-10-20/h6,8-9H,2-5,7,11-14H2,1H3
InChIKeyCVTRGRIXIGYSMR-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.05
Rot. Bonds6

About ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate

ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate (PubChem CID 22625839) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate
PubChem CID22625839
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nameethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc2c(N3CCCCC3)cccc2n1CCC#N
InChIInChI=1S/C19H24N4O2/c1-2-25-18(24)14-17-21-19-15(22-11-4-3-5-12-22)8-6-9-16(19)23(17)13-7-10-20/h6,8-9H,2-5,7,11-14H2,1H3
InChIKeyCVTRGRIXIGYSMR-UHFFFAOYSA-N
XLogP3.05
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate (CID 22625839) is ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate is CCOC(=O)Cc1nc2c(N3CCCCC3)cccc2n1CCC#N.
What is the InChIKey of ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate?
The InChIKey is CVTRGRIXIGYSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-18(24)14-17-21-19-15(22-11-4-3-5-12-22)8-6-9-16(19)23(17)13-7-10-20/h6,8-9H,2-5,7,11-14H2,1H3.
What are the key properties of ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate?
ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate has a molecular weight of 340.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate is sourced from PubChem (CID 22625839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).