2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole

C19H22N2O — CID 46264658

IUPAC2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole
SMILESCCc1ccc(OC(C)c2nc3cc(C)c(C)cc3[nH]2)cc1
InChIInChI=1S/C19H22N2O/c1-5-15-6-8-16(9-7-15)22-14(4)19-20-17-10-12(2)13(3)11-18(17)21-19/h6-11,14H,5H2,1-4H3,(H,20,21)
InChIKeyYOYTZDNUZQHIOT-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.88
Rot. Bonds4

About 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole

2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 46264658) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole
PubChem CID46264658
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole
SMILESCCc1ccc(OC(C)c2nc3cc(C)c(C)cc3[nH]2)cc1
InChIInChI=1S/C19H22N2O/c1-5-15-6-8-16(9-7-15)22-14(4)19-20-17-10-12(2)13(3)11-18(17)21-19/h6-11,14H,5H2,1-4H3,(H,20,21)
InChIKeyYOYTZDNUZQHIOT-UHFFFAOYSA-N
XLogP4.88
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 46264663
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic S-acid
CID 18184920
2-methyl-3-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid
CID 18184923
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole
CID 50754089
5-[[4-[1-[6-(4-hydroxy-3,5-dimethylphenoxy)-1H-benzimidazol-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 18461325
2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol
CID 66166899
2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 27408381
5-[[4-[1-[6-(4-hydroxy-2-methylphenoxy)-1H-benzimidazol-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 18461405
2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide
CID 54850762

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole (CID 46264658) is 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole is CCc1ccc(OC(C)c2nc3cc(C)c(C)cc3[nH]2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is YOYTZDNUZQHIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-5-15-6-8-16(9-7-15)22-14(4)19-20-17-10-12(2)13(3)11-18(17)21-19/h6-11,14H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole?
2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 294.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 46264658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).