1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole

C18H19ClN2O — CID 16995223

IUPAC1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole
SMILESCc1cc(OCCn2c(C)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C18H19ClN2O/c1-12-10-15(11-13(2)18(12)19)22-9-8-21-14(3)20-16-6-4-5-7-17(16)21/h4-7,10-11H,8-9H2,1-3H3
InChIKeyIRJVXZNECWTZLD-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.69
Rot. Bonds4

About 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole

1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole (PubChem CID 16995223) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole
PubChem CID16995223
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole
SMILESCc1cc(OCCn2c(C)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C18H19ClN2O/c1-12-10-15(11-13(2)18(12)19)22-9-8-21-14(3)20-16-6-4-5-7-17(16)21/h4-7,10-11H,8-9H2,1-3H3
InChIKeyIRJVXZNECWTZLD-UHFFFAOYSA-N
XLogP4.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole
CID 19243275
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997345
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996543
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000870
N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006686
N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007160
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998558
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999939
1-(3-bromophenyl)-4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242677
N-[5-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989332
4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005745
N-[1-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968304

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole?
The IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole (CID 16995223) is 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole is Cc1cc(OCCn2c(C)nc3ccccc32)cc(C)c1Cl.
What is the InChIKey of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole?
The InChIKey is IRJVXZNECWTZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-12-10-15(11-13(2)18(12)19)22-9-8-21-14(3)20-16-6-4-5-7-17(16)21/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole?
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole has a molecular weight of 314.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole is sourced from PubChem (CID 16995223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).