1-propan-2-yl-2-thiophen-2-ylbenzimidazole

C14H14N2S — CID 949166

IUPAC1-propan-2-yl-2-thiophen-2-ylbenzimidazole
SMILESCC(C)n1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H14N2S/c1-10(2)16-12-7-4-3-6-11(12)15-14(16)13-8-5-9-17-13/h3-10H,1-2H3
InChIKeyLHBBKUPEXVSJOL-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.35
Rot. Bonds2

About 1-propan-2-yl-2-thiophen-2-ylbenzimidazole

1-propan-2-yl-2-thiophen-2-ylbenzimidazole (PubChem CID 949166) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-propan-2-yl-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-propan-2-yl-2-thiophen-2-ylbenzimidazole
PubChem CID949166
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-propan-2-yl-2-thiophen-2-ylbenzimidazole
SMILESCC(C)n1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H14N2S/c1-10(2)16-12-7-4-3-6-11(12)15-14(16)13-8-5-9-17-13/h3-10H,1-2H3
InChIKeyLHBBKUPEXVSJOL-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-propan-2-yl-2-thiophen-2-ylbenzimidazole (CID 949166) is 1-propan-2-yl-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-propan-2-yl-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-propan-2-yl-2-thiophen-2-ylbenzimidazole is CC(C)n1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-propan-2-yl-2-thiophen-2-ylbenzimidazole?
The InChIKey is LHBBKUPEXVSJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-10(2)16-12-7-4-3-6-11(12)15-14(16)13-8-5-9-17-13/h3-10H,1-2H3.
What are the key properties of 1-propan-2-yl-2-thiophen-2-ylbenzimidazole?
1-propan-2-yl-2-thiophen-2-ylbenzimidazole has a molecular weight of 242.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 949166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).