1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole

C20H24N2O — CID 18877810

IUPAC1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
SMILESCCCCn1c(C(C)Oc2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-4-5-13-22-19-12-7-6-11-18(19)21-20(22)16(3)23-17-10-8-9-15(2)14-17/h6-12,14,16H,4-5,13H2,1-3H3
InChIKeyYLWRTBNIOQYASG-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.28
Rot. Bonds6

About 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole

1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole (PubChem CID 18877810) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
PubChem CID18877810
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
SMILESCCCCn1c(C(C)Oc2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-4-5-13-22-19-12-7-6-11-18(19)21-20(22)16(3)23-17-10-8-9-15(2)14-17/h6-12,14,16H,4-5,13H2,1-3H3
InChIKeyYLWRTBNIOQYASG-UHFFFAOYSA-N
XLogP5.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenoxy)ethyl]-1-nonylbenzimidazole
CID 18877805
2-[1-(3-methylphenoxy)propyl]-1-octadecylbenzimidazole
CID 18877891
2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 18877854
2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole
CID 18877935
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877885
2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
CID 18877904
1-[3-(2,5-dimethylphenoxy)propyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877957
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
1-[4-(3,5-dimethylphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996565
N-[(1R)-1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]formamide
CID 7366416
N-[1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]formamide
CID 2987533

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole (CID 18877810) is 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole is CCCCn1c(C(C)Oc2cccc(C)c2)nc2ccccc21.
What is the InChIKey of 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole?
The InChIKey is YLWRTBNIOQYASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-5-13-22-19-12-7-6-11-18(19)21-20(22)16(3)23-17-10-8-9-15(2)14-17/h6-12,14,16H,4-5,13H2,1-3H3.
What are the key properties of 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole?
1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole has a molecular weight of 308.43 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 18877810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).