ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate

C26H33N5O4 — CID 15990336

IUPACethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(CC)c(=O)n3CC)cc1
InChIInChI=1S/C26H33N5O4/c1-4-30-22-16-20(28-25(33)27-19-12-10-18(11-13-19)24(32)35-6-3)21(29-14-8-7-9-15-29)17-23(22)31(5-2)26(30)34/h10-13,16-17H,4-9,14-15H2,1-3H3,(H2,27,28,33)
InChIKeySTCBAYQPVGPEJH-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.65
Rot. Bonds7

About ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate

ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate (PubChem CID 15990336) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate
PubChem CID15990336
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Nameethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(CC)c(=O)n3CC)cc1
InChIInChI=1S/C26H33N5O4/c1-4-30-22-16-20(28-25(33)27-19-12-10-18(11-13-19)24(32)35-6-3)21(29-14-8-7-9-15-29)17-23(22)31(5-2)26(30)34/h10-13,16-17H,4-9,14-15H2,1-3H3,(H2,27,28,33)
InChIKeySTCBAYQPVGPEJH-UHFFFAOYSA-N
XLogP4.65
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate (CID 15990336) is ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(CC)c(=O)n3CC)cc1.
What is the InChIKey of ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate?
The InChIKey is STCBAYQPVGPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-4-30-22-16-20(28-25(33)27-19-12-10-18(11-13-19)24(32)35-6-3)21(29-14-8-7-9-15-29)17-23(22)31(5-2)26(30)34/h10-13,16-17H,4-9,14-15H2,1-3H3,(H2,27,28,33).
What are the key properties of ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate?
ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate has a molecular weight of 479.58 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)carbamoylamino]benzoate is sourced from PubChem (CID 15990336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).