1-propyl-2-thiophen-2-ylbenzimidazole

C14H14N2S — CID 660451

IUPAC1-propyl-2-thiophen-2-ylbenzimidazole
SMILESCCCn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H14N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h3-8,10H,2,9H2,1H3
InChIKeyKVWROADNCYIZDV-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.17
Rot. Bonds3

About 1-propyl-2-thiophen-2-ylbenzimidazole

1-propyl-2-thiophen-2-ylbenzimidazole (PubChem CID 660451) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-propyl-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-propyl-2-thiophen-2-ylbenzimidazole
PubChem CID660451
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-propyl-2-thiophen-2-ylbenzimidazole
SMILESCCCn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H14N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h3-8,10H,2,9H2,1H3
InChIKeyKVWROADNCYIZDV-UHFFFAOYSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-propyl-2-thiophen-2-ylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-propyl-2-thiophen-2-ylbenzimidazole (CID 660451) is 1-propyl-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-propyl-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-propyl-2-thiophen-2-ylbenzimidazole is CCCn1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-propyl-2-thiophen-2-ylbenzimidazole?
The InChIKey is KVWROADNCYIZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-propyl-2-thiophen-2-ylbenzimidazole?
1-propyl-2-thiophen-2-ylbenzimidazole has a molecular weight of 242.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 660451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).