1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole

C15H16N2S — CID 888451

IUPAC1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole
SMILESCC(C)Cn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C15H16N2S/c1-11(2)10-17-13-7-4-3-6-12(13)16-15(17)14-8-5-9-18-14/h3-9,11H,10H2,1-2H3
InChIKeyWWVYTOAJWOLNPK-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.42
Rot. Bonds3

About 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole

1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole (PubChem CID 888451) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole
PubChem CID888451
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole
SMILESCC(C)Cn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C15H16N2S/c1-11(2)10-17-13-7-4-3-6-12(13)16-15(17)14-8-5-9-18-14/h3-9,11H,10H2,1-2H3
InChIKeyWWVYTOAJWOLNPK-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole (CID 888451) is 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole is CC(C)Cn1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole?
The InChIKey is WWVYTOAJWOLNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11(2)10-17-13-7-4-3-6-12(13)16-15(17)14-8-5-9-18-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole?
1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole has a molecular weight of 256.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 888451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).