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

C18H18N2O — CID 51550729

IUPAC2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole
SMILESC=CCc1ccccc1O[C@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N2O/c1-3-8-14-9-4-7-12-17(14)21-13(2)18-19-15-10-5-6-11-16(15)20-18/h3-7,9-13H,1,8H2,2H3,(H,19,20)/t13-/m1/s1
InChIKeyYHUORRVSBPRRMG-CYBMUJFWSA-N
MW278.36 g/mol
LogP4.43
Rot. Bonds5

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

2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole (PubChem CID 51550729) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole
PubChem CID51550729
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole
SMILESC=CCc1ccccc1O[C@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N2O/c1-3-8-14-9-4-7-12-17(14)21-13(2)18-19-15-10-5-6-11-16(15)20-18/h3-7,9-13H,1,8H2,2H3,(H,19,20)/t13-/m1/s1
InChIKeyYHUORRVSBPRRMG-CYBMUJFWSA-N
XLogP4.43
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-[(1S)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole
CID 27408447
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
2-[1-(2-prop-2-enylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 24906198
2-propan-2-yl-1H-benzimidazole
CID 22121
2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
CID 55052996
3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine
CID 103228640
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 103228644
4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
CID 69478417
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
CID 168554555
[(1S)-1-(1H-benzimidazol-2-yl)ethoxy]-tert-butyl-dimethylsilane
CID 71378419

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole (CID 51550729) is 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole is C=CCc1ccccc1O[C@H](C)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole?
The InChIKey is YHUORRVSBPRRMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-8-14-9-4-7-12-17(14)21-13(2)18-19-15-10-5-6-11-16(15)20-18/h3-7,9-13H,1,8H2,2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole?
2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole has a molecular weight of 278.36 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 51550729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).