5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide

C13H11BrN4O2S — CID 79611980

IUPAC5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)c1
InChIInChI=1S/C13H11BrN4O2S/c14-8-2-10-11(18-13(20)17-10)3-9(8)16-4-7-1-6(5-21-7)12(15)19/h1-3,5,16H,4H2,(H2,15,19)(H2,17,18,20)
InChIKeyQULDQHYSJODRTE-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.39
Rot. Bonds4

About 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide

5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79611980) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide
PubChem CID79611980
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)c1
InChIInChI=1S/C13H11BrN4O2S/c14-8-2-10-11(18-13(20)17-10)3-9(8)16-4-7-1-6(5-21-7)12(15)19/h1-3,5,16H,4H2,(H2,15,19)(H2,17,18,20)
InChIKeyQULDQHYSJODRTE-UHFFFAOYSA-N
XLogP2.39
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide (CID 79611980) is 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)c1.
What is the InChIKey of 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is QULDQHYSJODRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c14-8-2-10-11(18-13(20)17-10)3-9(8)16-4-7-1-6(5-21-7)12(15)19/h1-3,5,16H,4H2,(H2,15,19)(H2,17,18,20).
What are the key properties of 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide?
5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 367.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).