1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole

C14H11BrN2S — CID 830206

IUPAC1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
SMILESC=C(Br)Cn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H11BrN2S/c1-10(15)9-17-12-6-3-2-5-11(12)16-14(17)13-7-4-8-18-13/h2-8H,1,9H2
InChIKeyZSSBJAWIRSHSNP-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.67
Rot. Bonds3

About 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole

1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole (PubChem CID 830206) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
PubChem CID830206
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC Name1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
SMILESC=C(Br)Cn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H11BrN2S/c1-10(15)9-17-12-6-3-2-5-11(12)16-14(17)13-7-4-8-18-13/h2-8H,1,9H2
InChIKeyZSSBJAWIRSHSNP-UHFFFAOYSA-N
XLogP4.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole (CID 830206) is 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole is C=C(Br)Cn1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole?
The InChIKey is ZSSBJAWIRSHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c1-10(15)9-17-12-6-3-2-5-11(12)16-14(17)13-7-4-8-18-13/h2-8H,1,9H2.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole?
1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole has a molecular weight of 319.23 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 830206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).