1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole

C23H22N2O — CID 17000504

IUPAC1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
SMILESCc1cccc(OCCn2c(-c3ccccc3)nc3ccccc32)c1C
InChIInChI=1S/C23H22N2O/c1-17-9-8-14-22(18(17)2)26-16-15-25-21-13-7-6-12-20(21)24-23(25)19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3
InChIKeyUZBFJWWCYUFMGO-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.40
Rot. Bonds5

About 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole

1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole (PubChem CID 17000504) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
PubChem CID17000504
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
SMILESCc1cccc(OCCn2c(-c3ccccc3)nc3ccccc32)c1C
InChIInChI=1S/C23H22N2O/c1-17-9-8-14-22(18(17)2)26-16-15-25-21-13-7-6-12-20(21)24-23(25)19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3
InChIKeyUZBFJWWCYUFMGO-UHFFFAOYSA-N
XLogP5.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole
CID 16995230
1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
CID 16995249
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 17001175
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971603
N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969503

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole (CID 17000504) is 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole is Cc1cccc(OCCn2c(-c3ccccc3)nc3ccccc32)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole?
The InChIKey is UZBFJWWCYUFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-9-8-14-22(18(17)2)26-16-15-25-21-13-7-6-12-20(21)24-23(25)19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole?
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole has a molecular weight of 342.44 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole is sourced from PubChem (CID 17000504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).