1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole

C22H28N2O — CID 18885770

IUPAC1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole
SMILESCCC(C)c1ccc(OCCn2c(C)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C22H28N2O/c1-6-15(2)19-7-9-20(10-8-19)25-12-11-24-18(5)23-21-13-16(3)17(4)14-22(21)24/h7-10,13-15H,6,11-12H2,1-5H3
InChIKeyNUPNWHYSBYJJGV-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.55
Rot. Bonds6

About 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole

1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole (PubChem CID 18885770) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole
PubChem CID18885770
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole
SMILESCCC(C)c1ccc(OCCn2c(C)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C22H28N2O/c1-6-15(2)19-7-9-20(10-8-19)25-12-11-24-18(5)23-21-13-16(3)17(4)14-22(21)24/h7-10,13-15H,6,11-12H2,1-5H3
InChIKeyNUPNWHYSBYJJGV-UHFFFAOYSA-N
XLogP5.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole with MolForge

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Related Compounds

2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998217
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole
CID 16997494
N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973220
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 17000955
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997767
5,6-dimethyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995047
3-bromo-N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008119
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006414
2-(4-bromophenyl)-1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazole
CID 17001214
N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969370
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole?
The IUPAC name of 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole (CID 18885770) is 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole.
What is the SMILES notation for 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole?
The canonical SMILES for 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole is CCC(C)c1ccc(OCCn2c(C)nc3cc(C)c(C)cc32)cc1.
What is the InChIKey of 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole?
The InChIKey is NUPNWHYSBYJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-6-15(2)19-7-9-20(10-8-19)25-12-11-24-18(5)23-21-13-16(3)17(4)14-22(21)24/h7-10,13-15H,6,11-12H2,1-5H3.
What are the key properties of 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole?
1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole has a molecular weight of 336.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole is sourced from PubChem (CID 18885770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).