2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole

C20H22N2O — CID 16996414

IUPAC2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccccc1OCCn1c(CC)nc2ccccc21
InChIInChI=1S/C20H22N2O/c1-3-9-16-10-5-8-13-19(16)23-15-14-22-18-12-7-6-11-17(18)21-20(22)4-2/h3,5-8,10-13H,1,4,9,14-15H2,2H3
InChIKeyIITHTBIMXRWSPW-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.41
Rot. Bonds7

About 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole

2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole (PubChem CID 16996414) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
PubChem CID16996414
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccccc1OCCn1c(CC)nc2ccccc21
InChIInChI=1S/C20H22N2O/c1-3-9-16-10-5-8-13-19(16)23-15-14-22-18-12-7-6-11-17(18)21-20(22)4-2/h3,5-8,10-13H,1,4,9,14-15H2,2H3
InChIKeyIITHTBIMXRWSPW-UHFFFAOYSA-N
XLogP4.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.41
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

2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878117
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980257
N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987867
2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16987427
2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 17000165
2,2-dimethyl-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988839
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878080
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole (CID 16996414) is 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole is C=CCc1ccccc1OCCn1c(CC)nc2ccccc21.
What is the InChIKey of 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The InChIKey is IITHTBIMXRWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-9-16-10-5-8-13-19(16)23-15-14-22-18-12-7-6-11-17(18)21-20(22)4-2/h3,5-8,10-13H,1,4,9,14-15H2,2H3.
What are the key properties of 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole has a molecular weight of 306.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16996414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).