1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole

C14H14N2S — CID 19242884

IUPAC1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole
SMILESCCn1c(Cc2cccs2)nc2ccccc21
InChIInChI=1S/C14H14N2S/c1-2-16-13-8-4-3-7-12(13)15-14(16)10-11-6-5-9-17-11/h3-9H,2,10H2,1H3
InChIKeyAVQKCVCXXKAJEB-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.71
Rot. Bonds3

About 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole

1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 19242884) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole
PubChem CID19242884
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole
SMILESCCn1c(Cc2cccs2)nc2ccccc21
InChIInChI=1S/C14H14N2S/c1-2-16-13-8-4-3-7-12(13)15-14(16)10-11-6-5-9-17-11/h3-9H,2,10H2,1H3
InChIKeyAVQKCVCXXKAJEB-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole (CID 19242884) is 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole is CCn1c(Cc2cccs2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is AVQKCVCXXKAJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-16-13-8-4-3-7-12(13)15-14(16)10-11-6-5-9-17-11/h3-9H,2,10H2,1H3.
What are the key properties of 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole?
1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 242.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 19242884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).