1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole

C14H12N2S — CID 5115727

IUPAC1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole
SMILESCn1c(C=Cc2cccs2)nc2ccccc21
InChIInChI=1S/C14H12N2S/c1-16-13-7-3-2-6-12(13)15-14(16)9-8-11-5-4-10-17-11/h2-10H,1H3
InChIKeyAEHJUPUWGMIMQO-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.81
Rot. Bonds2

About 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole

1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole (PubChem CID 5115727) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole
PubChem CID5115727
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole
SMILESCn1c(C=Cc2cccs2)nc2ccccc21
InChIInChI=1S/C14H12N2S/c1-16-13-7-3-2-6-12(13)15-14(16)9-8-11-5-4-10-17-11/h2-10H,1H3
InChIKeyAEHJUPUWGMIMQO-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
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CID 72638880
N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 18173
1-methyl-2-[2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)ethenyl]benzimidazole
CID 59063246
3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
CID 7822082
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
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CID 4107923
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CID 15999428

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole?
The IUPAC name of 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole (CID 5115727) is 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole is Cn1c(C=Cc2cccs2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole?
The InChIKey is AEHJUPUWGMIMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-16-13-7-3-2-6-12(13)15-14(16)9-8-11-5-4-10-17-11/h2-10H,1H3.
What are the key properties of 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole?
1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole has a molecular weight of 240.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-thiophen-2-ylethenyl)benzimidazole is sourced from PubChem (CID 5115727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).