[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate

C18H19N5O4 — CID 154804952

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2c1CCCCC2)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H19N5O4/c24-15(19-10-6-7-13-14(8-10)21-18(26)20-13)9-27-17(25)16-11-4-2-1-3-5-12(11)22-23-16/h6-8H,1-5,9H2,(H,19,24)(H,22,23)(H2,20,21,26)
InChIKeyXSYAPGBJCZLCDB-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.64
Rot. Bonds4

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate (PubChem CID 154804952) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate
PubChem CID154804952
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2c1CCCCC2)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H19N5O4/c24-15(19-10-6-7-13-14(8-10)21-18(26)20-13)9-27-17(25)16-11-4-2-1-3-5-12(11)22-23-16/h6-8H,1-5,9H2,(H,19,24)(H,22,23)(H2,20,21,26)
InChIKeyXSYAPGBJCZLCDB-UHFFFAOYSA-N
XLogP1.64
TPSA132.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate (CID 154804952) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2c1CCCCC2)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate?
The InChIKey is XSYAPGBJCZLCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c24-15(19-10-6-7-13-14(8-10)21-18(26)20-13)9-27-17(25)16-11-4-2-1-3-5-12(11)22-23-16/h6-8H,1-5,9H2,(H,19,24)(H,22,23)(H2,20,21,26).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate is sourced from PubChem (CID 154804952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).