2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole

C18H18N2O — CID 168554555

IUPAC2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
SMILESC=CCc1cc(-c2nc3ccccc3[nH]2)ccc1OCC
InChIInChI=1S/C18H18N2O/c1-3-7-13-12-14(10-11-17(13)21-4-2)18-19-15-8-5-6-9-16(15)20-18/h3,5-6,8-12H,1,4,7H2,2H3,(H,19,20)
InChIKeyJQOLNKDPSKBHMK-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.36
Rot. Bonds5

About 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole

2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole (PubChem CID 168554555) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
PubChem CID168554555
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
SMILESC=CCc1cc(-c2nc3ccccc3[nH]2)ccc1OCC
InChIInChI=1S/C18H18N2O/c1-3-7-13-12-14(10-11-17(13)21-4-2)18-19-15-8-5-6-9-16(15)20-18/h3,5-6,8-12H,1,4,7H2,2H3,(H,19,20)
InChIKeyJQOLNKDPSKBHMK-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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

2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole
CID 168554525
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one
CID 168551703
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole
CID 139201535
2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551953
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)-1H-benzimidazole
CID 168555055

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole (CID 168554555) is 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole is C=CCc1cc(-c2nc3ccccc3[nH]2)ccc1OCC.
What is the InChIKey of 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole?
The InChIKey is JQOLNKDPSKBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-7-13-12-14(10-11-17(13)21-4-2)18-19-15-8-5-6-9-16(15)20-18/h3,5-6,8-12H,1,4,7H2,2H3,(H,19,20).
What are the key properties of 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole?
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole has a molecular weight of 278.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole is sourced from PubChem (CID 168554555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).