1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole

C14H18N2O — CID 140992644

IUPAC1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
SMILESCC(C)=CCOCCn1cnc2ccccc21
InChIInChI=1S/C14H18N2O/c1-12(2)7-9-17-10-8-16-11-15-13-5-3-4-6-14(13)16/h3-7,11H,8-10H2,1-2H3
InChIKeyZYRIXYCXICOXDH-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.02
Rot. Bonds5

About 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole

1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole (PubChem CID 140992644) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
PubChem CID140992644
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
SMILESCC(C)=CCOCCn1cnc2ccccc21
InChIInChI=1S/C14H18N2O/c1-12(2)7-9-17-10-8-16-11-15-13-5-3-4-6-14(13)16/h3-7,11H,8-10H2,1-2H3
InChIKeyZYRIXYCXICOXDH-UHFFFAOYSA-N
XLogP3.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
1-[(E)-pent-3-enyl]benzimidazole
CID 135077117
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
1-[2-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 90666547
(NE)-N-[4-(benzimidazol-1-yl)butan-2-ylidene]hydroxylamine
CID 13267878
2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium
CID 123566013
4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
CID 139918365
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
bis(1-butylbenzimidazole);ethane
CID 142164287
1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid
CID 2965855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole?
The IUPAC name of 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole (CID 140992644) is 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole is CC(C)=CCOCCn1cnc2ccccc21.
What is the InChIKey of 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole?
The InChIKey is ZYRIXYCXICOXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12(2)7-9-17-10-8-16-11-15-13-5-3-4-6-14(13)16/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole?
1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole is sourced from PubChem (CID 140992644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).