1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole

C20H24N2O — CID 16998302

IUPAC1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
SMILESCCCCn1c(COc2ccc(CC)cc2)nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-3-5-14-22-19-9-7-6-8-18(19)21-20(22)15-23-17-12-10-16(4-2)11-13-17/h6-13H,3-5,14-15H2,1-2H3
InChIKeyXXHAVXBVSOIXDP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.98
Rot. Bonds7

About 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole

1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole (PubChem CID 16998302) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
PubChem CID16998302
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
SMILESCCCCn1c(COc2ccc(CC)cc2)nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-3-5-14-22-19-9-7-6-8-18(19)21-20(22)15-23-17-12-10-16(4-2)11-13-17/h6-13H,3-5,14-15H2,1-2H3
InChIKeyXXHAVXBVSOIXDP-UHFFFAOYSA-N
XLogP4.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
2-[(4-ethylphenoxy)methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 16998336
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
1-[(4-butan-2-ylphenyl)methyl]-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998333
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
CID 70113912

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole (CID 16998302) is 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole is CCCCn1c(COc2ccc(CC)cc2)nc2ccccc21.
What is the InChIKey of 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole?
The InChIKey is XXHAVXBVSOIXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-5-14-22-19-9-7-6-8-18(19)21-20(22)15-23-17-12-10-16(4-2)11-13-17/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole?
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole has a molecular weight of 308.43 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16998302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).