1-benzyl-2-thiophen-2-ylbenzimidazole

C18H14N2S — CID 947464

IUPAC1-benzyl-2-thiophen-2-ylbenzimidazole
SMILESc1ccc(Cn2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C18H14N2S/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-18(20)17-11-6-12-21-17/h1-12H,13H2
InChIKeyHRECDBQGFVCOIO-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.81
Rot. Bonds3

About 1-benzyl-2-thiophen-2-ylbenzimidazole

1-benzyl-2-thiophen-2-ylbenzimidazole (PubChem CID 947464) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-benzyl-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-thiophen-2-ylbenzimidazole
PubChem CID947464
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name1-benzyl-2-thiophen-2-ylbenzimidazole
SMILESc1ccc(Cn2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C18H14N2S/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-18(20)17-11-6-12-21-17/h1-12H,13H2
InChIKeyHRECDBQGFVCOIO-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-benzyl-2-thiophen-2-ylbenzimidazole (CID 947464) is 1-benzyl-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-benzyl-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-benzyl-2-thiophen-2-ylbenzimidazole is c1ccc(Cn2c(-c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-thiophen-2-ylbenzimidazole?
The InChIKey is HRECDBQGFVCOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-18(20)17-11-6-12-21-17/h1-12H,13H2.
What are the key properties of 1-benzyl-2-thiophen-2-ylbenzimidazole?
1-benzyl-2-thiophen-2-ylbenzimidazole has a molecular weight of 290.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 947464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).