2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole

C22H19ClN2O2 — CID 17001033

IUPAC2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H19ClN2O2/c1-26-20-8-4-5-9-21(20)27-15-14-25-19-7-3-2-6-18(19)24-22(25)16-10-12-17(23)13-11-16/h2-13H,14-15H2,1H3
InChIKeyJPLVBTASDAMKGL-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.44
Rot. Bonds6

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

2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole (PubChem CID 17001033) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
PubChem CID17001033
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H19ClN2O2/c1-26-20-8-4-5-9-21(20)27-15-14-25-19-7-3-2-6-18(19)24-22(25)16-10-12-17(23)13-11-16/h2-13H,14-15H2,1H3
InChIKeyJPLVBTASDAMKGL-UHFFFAOYSA-N
XLogP5.44
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
1-[4-(2-chlorophenoxy)butyl]-2-(4-chlorophenyl)benzimidazole
CID 17001082
2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 17001175
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-2-ol
CID 17027789
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole (CID 17001033) is 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole is COc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole?
The InChIKey is JPLVBTASDAMKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-26-20-8-4-5-9-21(20)27-15-14-25-19-7-3-2-6-18(19)24-22(25)16-10-12-17(23)13-11-16/h2-13H,14-15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole?
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole has a molecular weight of 378.86 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 17001033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).