(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone

C16H20N2O2 — CID 105101200

IUPAC(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCCCOc1ccc(C(=O)c2nccn2CC)cc1
InChIInChI=1S/C16H20N2O2/c1-3-5-12-20-14-8-6-13(7-9-14)15(19)16-17-10-11-18(16)4-2/h6-11H,3-5,12H2,1-2H3
InChIKeyGWBZEGAZKACYKC-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.31
Rot. Bonds7

About (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone

(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 105101200) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
PubChem CID105101200
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCCCOc1ccc(C(=O)c2nccn2CC)cc1
InChIInChI=1S/C16H20N2O2/c1-3-5-12-20-14-8-6-13(7-9-14)15(19)16-17-10-11-18(16)4-2/h6-11H,3-5,12H2,1-2H3
InChIKeyGWBZEGAZKACYKC-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 105126859
[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
CID 116577736
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
[4-(4-pentoxybenzoyl)phenyl] 4-pentoxybenzoate
CID 21133479
[4-[4-[4-[4-(4-tetradecoxybenzoyl)oxybenzoyl]oxybenzoyl]phenoxy]carbonylphenyl] 4-tetradecoxybenzoate
CID 102299008
(1-ethylimidazol-2-yl)-(1H-imidazol-2-yl)methanone
CID 18960771
propyl 4-butoxybenzoate
CID 43389566
(4-butoxybenzoyl)-methanidylazanium
CID 59280565

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone (CID 105101200) is (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone is CCCCOc1ccc(C(=O)c2nccn2CC)cc1.
What is the InChIKey of (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is GWBZEGAZKACYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-5-12-20-14-8-6-13(7-9-14)15(19)16-17-10-11-18(16)4-2/h6-11H,3-5,12H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone?
(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 105101200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).