1-butyl-5-(3-methoxyphenyl)imidazole

C14H18N2O — CID 155925772

IUPAC1-butyl-5-(3-methoxyphenyl)imidazole
SMILESCCCCn1cncc1-c1cccc(OC)c1
InChIInChI=1S/C14H18N2O/c1-3-4-8-16-11-15-10-14(16)12-6-5-7-13(9-12)17-2/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyOPRJJQCGQYHSNW-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.36
Rot. Bonds5

About 1-butyl-5-(3-methoxyphenyl)imidazole

1-butyl-5-(3-methoxyphenyl)imidazole (PubChem CID 155925772) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-butyl-5-(3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-butyl-5-(3-methoxyphenyl)imidazole
PubChem CID155925772
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-butyl-5-(3-methoxyphenyl)imidazole
SMILESCCCCn1cncc1-c1cccc(OC)c1
InChIInChI=1S/C14H18N2O/c1-3-4-8-16-11-15-10-14(16)12-6-5-7-13(9-12)17-2/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyOPRJJQCGQYHSNW-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(3-methoxyphenyl)imidazole?
The IUPAC name of 1-butyl-5-(3-methoxyphenyl)imidazole (CID 155925772) is 1-butyl-5-(3-methoxyphenyl)imidazole.
What is the SMILES notation for 1-butyl-5-(3-methoxyphenyl)imidazole?
The canonical SMILES for 1-butyl-5-(3-methoxyphenyl)imidazole is CCCCn1cncc1-c1cccc(OC)c1.
What is the InChIKey of 1-butyl-5-(3-methoxyphenyl)imidazole?
The InChIKey is OPRJJQCGQYHSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-8-16-11-15-10-14(16)12-6-5-7-13(9-12)17-2/h5-7,9-11H,3-4,8H2,1-2H3.
What are the key properties of 1-butyl-5-(3-methoxyphenyl)imidazole?
1-butyl-5-(3-methoxyphenyl)imidazole has a molecular weight of 230.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(3-methoxyphenyl)imidazole is sourced from PubChem (CID 155925772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).