2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole

C19H16N2O2 — CID 134468873

IUPAC2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole
SMILESC#CCOc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C19H16N2O2/c1-3-12-23-17-10-8-14(13-18(17)22-2)9-11-19-20-15-6-4-5-7-16(15)21-19/h1,4-11,13H,12H2,2H3,(H,20,21)/b11-9+
InChIKeyZMBFLPPNQMDJFU-PKNBQFBNSA-N
MW304.35 g/mol
LogP3.75
Rot. Bonds5

About 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole

2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole (PubChem CID 134468873) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole
PubChem CID134468873
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole
SMILESC#CCOc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C19H16N2O2/c1-3-12-23-17-10-8-14(13-18(17)22-2)9-11-19-20-15-6-4-5-7-16(15)21-19/h1,4-11,13H,12H2,2H3,(H,20,21)/b11-9+
InChIKeyZMBFLPPNQMDJFU-PKNBQFBNSA-N
XLogP3.75
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
CID 154048615
(E)-2-(1H-benzimidazol-2-yl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enenitrile
CID 5290548
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
methyl 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate
CID 14254615
4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
(1E,6E)-5-hydroxy-1,7-bis(3-methoxy-4-prop-2-ynoxyphenyl)hepta-1,4,6-trien-3-one
CID 173379897
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 60620296
(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 135290044
2-(3-methoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 19821912
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1083517

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole?
The IUPAC name of 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole (CID 134468873) is 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole?
The canonical SMILES for 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole is C#CCOc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole?
The InChIKey is ZMBFLPPNQMDJFU-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-3-12-23-17-10-8-14(13-18(17)22-2)9-11-19-20-15-6-4-5-7-16(15)21-19/h1,4-11,13H,12H2,2H3,(H,20,21)/b11-9+.
What are the key properties of 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole?
2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole has a molecular weight of 304.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole is sourced from PubChem (CID 134468873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).