5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole

C17H18N2O — CID 962404

IUPAC5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole
SMILESCc1cc2ncn(CCOc3ccccc3)c2cc1C
InChIInChI=1S/C17H18N2O/c1-13-10-16-17(11-14(13)2)19(12-18-16)8-9-20-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeyYGWKWAAOMKWUQY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.73
Rot. Bonds4

About 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole

5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole (PubChem CID 962404) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole
PubChem CID962404
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole
SMILESCc1cc2ncn(CCOc3ccccc3)c2cc1C
InChIInChI=1S/C17H18N2O/c1-13-10-16-17(11-14(13)2)19(12-18-16)8-9-20-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeyYGWKWAAOMKWUQY-UHFFFAOYSA-N
XLogP3.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-2623091
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Etodesnitazene
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Metodesnitazene
CID 26412
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
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1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-methoxy-6-methyl-1-phenyl-1H-1,3-benzodiazole
CID 5328528
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
Benzimidazole deriv. 5
CID 5329405
1-phenyl-5-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-1,3-benzodiazole
CID 5329412

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole?
The IUPAC name of 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole (CID 962404) is 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole?
The canonical SMILES for 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole is Cc1cc2ncn(CCOc3ccccc3)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole?
The InChIKey is YGWKWAAOMKWUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-10-16-17(11-14(13)2)19(12-18-16)8-9-20-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole?
5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(2-phenoxyethyl)benzimidazole is sourced from PubChem (CID 962404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).