1-prop-2-enyl-2-thiophen-2-ylbenzimidazole

C14H12N2S — CID 962267

IUPAC1-prop-2-enyl-2-thiophen-2-ylbenzimidazole
SMILESC=CCn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H12N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h2-8,10H,1,9H2
InChIKeyBOIULSZITPGODO-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.95
Rot. Bonds3

About 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole

1-prop-2-enyl-2-thiophen-2-ylbenzimidazole (PubChem CID 962267) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-prop-2-enyl-2-thiophen-2-ylbenzimidazole
PubChem CID962267
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-prop-2-enyl-2-thiophen-2-ylbenzimidazole
SMILESC=CCn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H12N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h2-8,10H,1,9H2
InChIKeyBOIULSZITPGODO-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-2-methylbenzimidazole
CID 22054
2-(5-Methyl-2-thienyl)-1H-benzimidazole
CID 870214
2,3-Dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 82179
2-(2-thienyl)-1H-benzimidazole
CID 506600
5-(methylsulfanyl)-1-phenyl-1H-1,3-benzodiazole
CID 5328514
Agl 2043
CID 9817165
1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
n-Methylthiabendazole
CID 612049
[1,3]Thiazolo[3,2-a]benzimidazole
CID 658562
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
(1-Phenyl-1H-benzoimidazol-5-yl)-thiophen-2-ylmethyl-amine
CID 950037
1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide
CID 1486498

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole (CID 962267) is 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole is C=CCn1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole?
The InChIKey is BOIULSZITPGODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h2-8,10H,1,9H2.
What are the key properties of 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole?
1-prop-2-enyl-2-thiophen-2-ylbenzimidazole has a molecular weight of 240.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 962267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).