2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide

C14H14BrN3OS — CID 11957168

IUPAC2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C14H13N3OS.BrH/c1-16-10-5-2-3-6-11(10)17(14(16)15)9-12(18)13-7-4-8-19-13;/h2-8,15H,9H2,1H3;1H/b15-14+;
InChIKeyMLBOCVNYDUCVRF-WPDLWGESSA-N
MW352.26 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide

2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide (PubChem CID 11957168) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
PubChem CID11957168
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C14H13N3OS.BrH/c1-16-10-5-2-3-6-11(10)17(14(16)15)9-12(18)13-7-4-8-19-13;/h2-8,15H,9H2,1H3;1H/b15-14+;
InChIKeyMLBOCVNYDUCVRF-WPDLWGESSA-N
XLogP2.98
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide?
The IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide (CID 11957168) is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide.
What is the SMILES notation for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide?
The canonical SMILES for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1cccs1.
What is the InChIKey of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide?
The InChIKey is MLBOCVNYDUCVRF-WPDLWGESSA-N. The full InChI is InChI=1S/C14H13N3OS.BrH/c1-16-10-5-2-3-6-11(10)17(14(16)15)9-12(18)13-7-4-8-19-13;/h2-8,15H,9H2,1H3;1H/b15-14+;.
What are the key properties of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide?
2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide has a molecular weight of 352.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide is sourced from PubChem (CID 11957168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).