1-butyl-4-(3-methylbutoxy)-2-phenylimidazole

C18H26N2O — CID 20978281

IUPAC1-butyl-4-(3-methylbutoxy)-2-phenylimidazole
SMILESCCCCn1cc(OCCC(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H26N2O/c1-4-5-12-20-14-17(21-13-11-15(2)3)19-18(20)16-9-7-6-8-10-16/h6-10,14-15H,4-5,11-13H2,1-3H3
InChIKeyRRZUAILODZPHFM-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.78
Rot. Bonds8

About 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole

1-butyl-4-(3-methylbutoxy)-2-phenylimidazole (PubChem CID 20978281) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole.

Molecular Properties

Compound Name1-butyl-4-(3-methylbutoxy)-2-phenylimidazole
PubChem CID20978281
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-butyl-4-(3-methylbutoxy)-2-phenylimidazole
SMILESCCCCn1cc(OCCC(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H26N2O/c1-4-5-12-20-14-17(21-13-11-15(2)3)19-18(20)16-9-7-6-8-10-16/h6-10,14-15H,4-5,11-13H2,1-3H3
InChIKeyRRZUAILODZPHFM-UHFFFAOYSA-N
XLogP4.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-2-phenylimidazole-4-carboxylic acid
CID 142669495
1-butyl-2-methyl-4-(3-methylbutyl)imidazole
CID 175413043
3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
CID 116502908
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
4-(1-butyl-4-methylimidazol-2-yl)aniline
CID 83971208
2,6-dibutoxypyridine
CID 67437244
1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668
2-phenyl-4-(3-phenylpropyl)-1-propylimidazole
CID 69389912
2-(3-methylbutoxy)-4-phenylpyrimidine
CID 58044672
3-pentoxy-6-phenylpyridazine
CID 19760650
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole?
The IUPAC name of 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole (CID 20978281) is 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole.
What is the SMILES notation for 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole?
The canonical SMILES for 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole is CCCCn1cc(OCCC(C)C)nc1-c1ccccc1.
What is the InChIKey of 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole?
The InChIKey is RRZUAILODZPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-5-12-20-14-17(21-13-11-15(2)3)19-18(20)16-9-7-6-8-10-16/h6-10,14-15H,4-5,11-13H2,1-3H3.
What are the key properties of 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole?
1-butyl-4-(3-methylbutoxy)-2-phenylimidazole has a molecular weight of 286.42 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-methylbutoxy)-2-phenylimidazole is sourced from PubChem (CID 20978281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).