1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole

C18H18N2O — CID 2919944

IUPAC1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
SMILESCCn1c(C=Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-3-20-17-7-5-4-6-16(17)19-18(20)13-10-14-8-11-15(21-2)12-9-14/h4-13H,3H2,1-2H3
InChIKeyWFHHVCPYNQPVFX-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.24
Rot. Bonds4

About 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole

1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole (PubChem CID 2919944) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
PubChem CID2919944
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
SMILESCCn1c(C=Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-3-20-17-7-5-4-6-16(17)19-18(20)13-10-14-8-11-15(21-2)12-9-14/h4-13H,3H2,1-2H3
InChIKeyWFHHVCPYNQPVFX-UHFFFAOYSA-N
XLogP4.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999714
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole (CID 2919944) is 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole is CCn1c(C=Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole?
The InChIKey is WFHHVCPYNQPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-20-17-7-5-4-6-16(17)19-18(20)13-10-14-8-11-15(21-2)12-9-14/h4-13H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole?
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole has a molecular weight of 278.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole is sourced from PubChem (CID 2919944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).