1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole

C21H24N2O — CID 18878080

IUPAC1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1CC(C)C
InChIInChI=1S/C21H24N2O/c1-4-9-17-10-5-8-13-20(17)24-15-21-22-18-11-6-7-12-19(18)23(21)14-16(2)3/h4-8,10-13,16H,1,9,14-15H2,2-3H3
InChIKeySIMLLBNQRFRANO-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.00
Rot. Bonds7

About 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole

1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (PubChem CID 18878080) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
PubChem CID18878080
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1CC(C)C
InChIInChI=1S/C21H24N2O/c1-4-9-17-10-5-8-13-20(17)24-15-21-22-18-11-6-7-12-19(18)23(21)14-16(2)3/h4-8,10-13,16H,1,9,14-15H2,2-3H3
InChIKeySIMLLBNQRFRANO-UHFFFAOYSA-N
XLogP5.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 55.00
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-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878101
1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878085
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878117
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 44884546
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931
1-(2-methylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 3152611
2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310807
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (CID 18878080) is 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is C=CCc1ccccc1OCc1nc2ccccc2n1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The InChIKey is SIMLLBNQRFRANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-9-17-10-5-8-13-20(17)24-15-21-22-18-11-6-7-12-19(18)23(21)14-16(2)3/h4-8,10-13,16H,1,9,14-15H2,2-3H3.
What are the key properties of 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole has a molecular weight of 320.44 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 18878080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).