1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole

C21H17ClN2O2 — CID 3723983

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
SMILESClc1ccc(OCCn2c(C=Cc3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C21H17ClN2O2/c22-16-7-9-18(10-8-16)26-15-13-24-20-6-2-1-5-19(20)23-21(24)12-11-17-4-3-14-25-17/h1-12,14H,13,15H2
InChIKeyDMOJLRILILUKHU-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.53
Rot. Bonds6

About 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole

1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole (PubChem CID 3723983) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
PubChem CID3723983
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
SMILESClc1ccc(OCCn2c(C=Cc3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C21H17ClN2O2/c22-16-7-9-18(10-8-16)26-15-13-24-20-6-2-1-5-19(20)23-21(24)12-11-17-4-3-14-25-17/h1-12,14H,13,15H2
InChIKeyDMOJLRILILUKHU-UHFFFAOYSA-N
XLogP5.53
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999939
2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999922
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999945
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16999796
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999930
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole (CID 3723983) is 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole is Clc1ccc(OCCn2c(C=Cc3ccco3)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole?
The InChIKey is DMOJLRILILUKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-16-7-9-18(10-8-16)26-15-13-24-20-6-2-1-5-19(20)23-21(24)12-11-17-4-3-14-25-17/h1-12,14H,13,15H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole?
1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole has a molecular weight of 364.83 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole is sourced from PubChem (CID 3723983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).