3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide

C21H26BrN5O2S — CID 55852339

IUPAC3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide
SMILESCC(CNC(=O)c1cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2s1)N1CCOCC1
InChIInChI=1S/C21H26BrN5O2S/c1-14(26-8-10-29-11-9-26)13-23-19(28)18-12-17-20(30-18)27(21(24-17)25(2)3)16-6-4-15(22)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,23,28)
InChIKeyPCZOBQVASPLCGA-UHFFFAOYSA-N
MW492.44 g/mol
LogP3.37
Rot. Bonds6

About 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide

3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide (PubChem CID 55852339) has the molecular formula C21H26BrN5O2S and a molecular weight of 492.44 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide
PubChem CID55852339
Molecular FormulaC21H26BrN5O2S
Molecular Weight492.44 g/mol
Exact Mass491.10
IUPAC Name3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide
SMILESCC(CNC(=O)c1cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2s1)N1CCOCC1
InChIInChI=1S/C21H26BrN5O2S/c1-14(26-8-10-29-11-9-26)13-23-19(28)18-12-17-20(30-18)27(21(24-17)25(2)3)16-6-4-15(22)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,23,28)
InChIKeyPCZOBQVASPLCGA-UHFFFAOYSA-N
XLogP3.37
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide (CID 55852339) is 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide is CC(CNC(=O)c1cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2s1)N1CCOCC1.
What is the InChIKey of 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is PCZOBQVASPLCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN5O2S/c1-14(26-8-10-29-11-9-26)13-23-19(28)18-12-17-20(30-18)27(21(24-17)25(2)3)16-6-4-15(22)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,23,28).
What are the key properties of 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide?
3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 492.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 55852339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).