cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone

C15H16N2O2 — CID 10422544

IUPACcyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCc2cnc[nH]2)cc1)C1CC1
InChIInChI=1S/C15H16N2O2/c18-15(11-1-2-11)12-3-5-14(6-4-12)19-8-7-13-9-16-10-17-13/h3-6,9-11H,1-2,7-8H2,(H,16,17)
InChIKeyZRNDAGMTSLIDDH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.62
Rot. Bonds6

About cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone

cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone (PubChem CID 10422544) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone
PubChem CID10422544
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namecyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCc2cnc[nH]2)cc1)C1CC1
InChIInChI=1S/C15H16N2O2/c18-15(11-1-2-11)12-3-5-14(6-4-12)19-8-7-13-9-16-10-17-13/h3-6,9-11H,1-2,7-8H2,(H,16,17)
InChIKeyZRNDAGMTSLIDDH-UHFFFAOYSA-N
XLogP2.62
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone (CID 10422544) is cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone is O=C(c1ccc(OCCc2cnc[nH]2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone?
The InChIKey is ZRNDAGMTSLIDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(11-1-2-11)12-3-5-14(6-4-12)19-8-7-13-9-16-10-17-13/h3-6,9-11H,1-2,7-8H2,(H,16,17).
What are the key properties of cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone?
cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone has a molecular weight of 256.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methanone is sourced from PubChem (CID 10422544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).