2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide

C15H18ClN3O2 — CID 56754331

IUPAC2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide
SMILESCC(C)Cn1ccnc1-c1ccc(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)8-19-6-5-18-15(19)11-3-4-13(12(16)7-11)21-9-14(17)20/h3-7,10H,8-9H2,1-2H3,(H2,17,20)
InChIKeyVWXVGMPLMRUYLQ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.72
Rot. Bonds6

About 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide

2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide (PubChem CID 56754331) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide
PubChem CID56754331
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide
SMILESCC(C)Cn1ccnc1-c1ccc(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)8-19-6-5-18-15(19)11-3-4-13(12(16)7-11)21-9-14(17)20/h3-7,10H,8-9H2,1-2H3,(H2,17,20)
InChIKeyVWXVGMPLMRUYLQ-UHFFFAOYSA-N
XLogP2.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide (CID 56754331) is 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide is CC(C)Cn1ccnc1-c1ccc(OCC(N)=O)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide?
The InChIKey is VWXVGMPLMRUYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(2)8-19-6-5-18-15(19)11-3-4-13(12(16)7-11)21-9-14(17)20/h3-7,10H,8-9H2,1-2H3,(H2,17,20).
What are the key properties of 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide?
2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 56754331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).