2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide

C15H16BrN3OS — CID 52997824

IUPAC2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C15H15N3OS.BrH/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14;/h3-9,16H,2,10H2,1H3;1H/b16-15+;
InChIKeyQMNHULMDZRQNJJ-GEEYTBSJSA-N
MW366.28 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide

2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide (PubChem CID 52997824) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
PubChem CID52997824
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C15H15N3OS.BrH/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14;/h3-9,16H,2,10H2,1H3;1H/b16-15+;
InChIKeyQMNHULMDZRQNJJ-GEEYTBSJSA-N
XLogP3.46
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 2851129
2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone
CID 1354983
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol
CID 3123771
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-nitrothiophen-2-yl)ethanone
CID 3778284
1-thiophen-2-ylpropan-1-one
CID 26179
1-(3-butyl-5-tert-butyl-4-hydroxyphenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone
CID 143648699
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-heptyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide
CID 44889171
methyl 2-[2-(2-imino-3-propylbenzimidazol-1-yl)acetyl]benzoate;hydrobromide
CID 44889409
2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-thiophen-2-ylethanone bromide
CID 44656649
2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 82358968

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide?
The IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide (CID 52997824) is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide.
What is the SMILES notation for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide?
The canonical SMILES for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide is Br.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1cccs1.
What is the InChIKey of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide?
The InChIKey is QMNHULMDZRQNJJ-GEEYTBSJSA-N. The full InChI is InChI=1S/C15H15N3OS.BrH/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14;/h3-9,16H,2,10H2,1H3;1H/b16-15+;.
What are the key properties of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide?
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide has a molecular weight of 366.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide is sourced from PubChem (CID 52997824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).