2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole

C23H21ClN2O — CID 16998925

IUPAC2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C23H21ClN2O/c1-16(18-8-4-3-5-9-18)26-22-11-7-6-10-21(22)25-23(26)17(2)27-20-14-12-19(24)13-15-20/h3-17H,1-2H3
InChIKeyRVDBLATVCZLYIG-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.44
Rot. Bonds5

About 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole

2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole (PubChem CID 16998925) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
PubChem CID16998925
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C23H21ClN2O/c1-16(18-8-4-3-5-9-18)26-22-11-7-6-10-21(22)25-23(26)17(2)27-20-14-12-19(24)13-15-20/h3-17H,1-2H3
InChIKeyRVDBLATVCZLYIG-UHFFFAOYSA-N
XLogP6.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973009
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
CID 18878245
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
CID 40692444
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
2-(4-chlorophenoxy)-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986394
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999048
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole?
The IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole (CID 16998925) is 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole.
What is the SMILES notation for 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole?
The canonical SMILES for 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole is CC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1C(C)c1ccccc1.
What is the InChIKey of 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole?
The InChIKey is RVDBLATVCZLYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-16(18-8-4-3-5-9-18)26-22-11-7-6-10-21(22)25-23(26)17(2)27-20-14-12-19(24)13-15-20/h3-17H,1-2H3.
What are the key properties of 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole?
2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole has a molecular weight of 376.89 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole is sourced from PubChem (CID 16998925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).