1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide

C15H14Br2N2O2S2 — CID 2858180

IUPAC1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide
SMILESBr.COc1ccc2c(c1)nc(SCC(=O)c1ccc(Br)s1)n2C
InChIInChI=1S/C15H13BrN2O2S2.BrH/c1-18-11-4-3-9(20-2)7-10(11)17-15(18)21-8-12(19)13-5-6-14(16)22-13;/h3-7H,8H2,1-2H3;1H
InChIKeyLCCYJQBZXDJHKP-UHFFFAOYSA-N
MW478.23 g/mol
LogP4.96
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide

1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide (PubChem CID 2858180) has the molecular formula C15H14Br2N2O2S2 and a molecular weight of 478.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide
PubChem CID2858180
Molecular FormulaC15H14Br2N2O2S2
Molecular Weight478.23 g/mol
Exact Mass475.89
IUPAC Name1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide
SMILESBr.COc1ccc2c(c1)nc(SCC(=O)c1ccc(Br)s1)n2C
InChIInChI=1S/C15H13BrN2O2S2.BrH/c1-18-11-4-3-9(20-2)7-10(11)17-15(18)21-8-12(19)13-5-6-14(16)22-13;/h3-7H,8H2,1-2H3;1H
InChIKeyLCCYJQBZXDJHKP-UHFFFAOYSA-N
XLogP4.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.23
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide (CID 2858180) is 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide is Br.COc1ccc2c(c1)nc(SCC(=O)c1ccc(Br)s1)n2C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide?
The InChIKey is LCCYJQBZXDJHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S2.BrH/c1-18-11-4-3-9(20-2)7-10(11)17-15(18)21-8-12(19)13-5-6-14(16)22-13;/h3-7H,8H2,1-2H3;1H.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide?
1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide has a molecular weight of 478.23 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylethanone;hydrobromide is sourced from PubChem (CID 2858180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).