1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole

C18H18N2O — CID 5292997

IUPAC1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole
SMILESCOCCn1c(/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-21-14-13-20-17-10-6-5-9-16(17)19-18(20)12-11-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3/b12-11+
InChIKeyALPPRHXJBDIEMG-VAWYXSNFSA-N
MW278.36 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole

1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole (PubChem CID 5292997) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole
PubChem CID5292997
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole
SMILESCOCCn1c(/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-21-14-13-20-17-10-6-5-9-16(17)19-18(20)12-11-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3/b12-11+
InChIKeyALPPRHXJBDIEMG-VAWYXSNFSA-N
XLogP3.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(1-methyl-1H-1,3-benzodiazol-2-yl)methanol
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Alinastine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole (CID 5292997) is 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole is COCCn1c(/C=C/c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The InChIKey is ALPPRHXJBDIEMG-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18N2O/c1-21-14-13-20-17-10-6-5-9-16(17)19-18(20)12-11-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3/b12-11+.
What are the key properties of 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole?
1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole has a molecular weight of 278.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole is sourced from PubChem (CID 5292997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).