[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate

C14H9Br2N3O4S — CID 2552971

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate
SMILESO=C(COC(=O)c1cc(Br)c(Br)s1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H9Br2N3O4S/c15-7-4-10(24-12(7)16)13(21)23-5-11(20)17-6-1-2-8-9(3-6)19-14(22)18-8/h1-4H,5H2,(H,17,20)(H2,18,19,22)
InChIKeyZCRQJZSUDIGDIS-UHFFFAOYSA-N
MW475.12 g/mol
LogP3.24
Rot. Bonds4

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate (PubChem CID 2552971) has the molecular formula C14H9Br2N3O4S and a molecular weight of 475.12 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate
PubChem CID2552971
Molecular FormulaC14H9Br2N3O4S
Molecular Weight475.12 g/mol
Exact Mass472.87
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate
SMILESO=C(COC(=O)c1cc(Br)c(Br)s1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H9Br2N3O4S/c15-7-4-10(24-12(7)16)13(21)23-5-11(20)17-6-1-2-8-9(3-6)19-14(22)18-8/h1-4H,5H2,(H,17,20)(H2,18,19,22)
InChIKeyZCRQJZSUDIGDIS-UHFFFAOYSA-N
XLogP3.24
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.12
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate with MolForge

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Related Compounds

[2-(4-methylsulfanylanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 42235677
[2-(2-bromoanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35987566
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,6-difluorobenzoate
CID 2100586
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate
CID 24661375
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8892731
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-amino-4-chlorobenzoate
CID 24661458
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 2545502
5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 79964276
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-methoxybenzoate
CID 24658441
[2-(2-acetylanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35966583
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-butylbenzoate
CID 18123351

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate (CID 2552971) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate is O=C(COC(=O)c1cc(Br)c(Br)s1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate?
The InChIKey is ZCRQJZSUDIGDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O4S/c15-7-4-10(24-12(7)16)13(21)23-5-11(20)17-6-1-2-8-9(3-6)19-14(22)18-8/h1-4H,5H2,(H,17,20)(H2,18,19,22).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate has a molecular weight of 475.12 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 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] 4,5-dibromothiophene-2-carboxylate is sourced from PubChem (CID 2552971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).