ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate

C25H31N5O4 — CID 15990353

IUPACethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H31N5O4/c1-4-34-23(31)14-17-8-10-18(11-9-17)26-24(32)27-19-15-21-22(29(3)25(33)28(21)2)16-20(19)30-12-6-5-7-13-30/h8-11,15-16H,4-7,12-14H2,1-3H3,(H2,26,27,32)
InChIKeyZDDUBJMVEPNMEP-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.62
Rot. Bonds6

About ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate

ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate (PubChem CID 15990353) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate
PubChem CID15990353
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Nameethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H31N5O4/c1-4-34-23(31)14-17-8-10-18(11-9-17)26-24(32)27-19-15-21-22(29(3)25(33)28(21)2)16-20(19)30-12-6-5-7-13-30/h8-11,15-16H,4-7,12-14H2,1-3H3,(H2,26,27,32)
InChIKeyZDDUBJMVEPNMEP-UHFFFAOYSA-N
XLogP3.62
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]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-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate (CID 15990353) is ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1.
What is the InChIKey of ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate?
The InChIKey is ZDDUBJMVEPNMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-4-34-23(31)14-17-8-10-18(11-9-17)26-24(32)27-19-15-21-22(29(3)25(33)28(21)2)16-20(19)30-12-6-5-7-13-30/h8-11,15-16H,4-7,12-14H2,1-3H3,(H2,26,27,32).
What are the key properties of ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate?
ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate has a molecular weight of 465.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]phenyl]acetate is sourced from PubChem (CID 15990353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).