1-[(E)-pent-3-enyl]benzimidazole

C12H14N2 — CID 135077117

IUPAC1-[(E)-pent-3-enyl]benzimidazole
SMILESC/C=C/CCn1cnc2ccccc21
InChIInChI=1S/C12H14N2/c1-2-3-6-9-14-10-13-11-7-4-5-8-12(11)14/h2-5,7-8,10H,6,9H2,1H3/b3-2+
InChIKeyPCJZNVWLDXSDBZ-NSCUHMNNSA-N
MW186.26 g/mol
LogP3.00
Rot. Bonds3

About 1-[(E)-pent-3-enyl]benzimidazole

1-[(E)-pent-3-enyl]benzimidazole (PubChem CID 135077117) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[(E)-pent-3-enyl]benzimidazole.

Molecular Properties

Compound Name1-[(E)-pent-3-enyl]benzimidazole
PubChem CID135077117
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-[(E)-pent-3-enyl]benzimidazole
SMILESC/C=C/CCn1cnc2ccccc21
InChIInChI=1S/C12H14N2/c1-2-3-6-9-14-10-13-11-7-4-5-8-12(11)14/h2-5,7-8,10H,6,9H2,1H3/b3-2+
InChIKeyPCJZNVWLDXSDBZ-NSCUHMNNSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
bis(1-butylbenzimidazole);ethane
CID 142164287
(NE)-N-[4-(benzimidazol-1-yl)butan-2-ylidene]hydroxylamine
CID 13267878
2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium
CID 123566013
1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
CID 140992644
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-3-enyl]benzimidazole?
The IUPAC name of 1-[(E)-pent-3-enyl]benzimidazole (CID 135077117) is 1-[(E)-pent-3-enyl]benzimidazole.
What is the SMILES notation for 1-[(E)-pent-3-enyl]benzimidazole?
The canonical SMILES for 1-[(E)-pent-3-enyl]benzimidazole is C/C=C/CCn1cnc2ccccc21.
What is the InChIKey of 1-[(E)-pent-3-enyl]benzimidazole?
The InChIKey is PCJZNVWLDXSDBZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-3-6-9-14-10-13-11-7-4-5-8-12(11)14/h2-5,7-8,10H,6,9H2,1H3/b3-2+.
What are the key properties of 1-[(E)-pent-3-enyl]benzimidazole?
1-[(E)-pent-3-enyl]benzimidazole has a molecular weight of 186.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-3-enyl]benzimidazole is sourced from PubChem (CID 135077117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).