2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole

C24H21ClN2O — CID 3822868

IUPAC2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCc1ccccc1OCCn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H21ClN2O/c1-18-6-2-5-9-23(18)28-17-16-27-22-8-4-3-7-21(22)26-24(27)15-12-19-10-13-20(25)14-11-19/h2-15H,16-17H2,1H3
InChIKeyBVOXJWKUZMIESL-UHFFFAOYSA-N
MW388.90 g/mol
LogP6.25
Rot. Bonds6

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

2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole (PubChem CID 3822868) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
PubChem CID3822868
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCc1ccccc1OCCn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H21ClN2O/c1-18-6-2-5-9-23(18)28-17-16-27-22-8-4-3-7-21(22)26-24(27)15-12-19-10-13-20(25)14-11-19/h2-15H,16-17H2,1H3
InChIKeyBVOXJWKUZMIESL-UHFFFAOYSA-N
XLogP6.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16999796
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[4-(3,5-dimethylphenoxy)butyl]benzimidazole
CID 16999834
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18878269
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999604
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999714
1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
CID 3723983
1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole (CID 3822868) is 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole is Cc1ccccc1OCCn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The InChIKey is BVOXJWKUZMIESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-18-6-2-5-9-23(18)28-17-16-27-22-8-4-3-7-21(22)26-24(27)15-12-19-10-13-20(25)14-11-19/h2-15H,16-17H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole has a molecular weight of 388.90 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 3822868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).