cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone

C16H18N2O2 — CID 6422124

IUPACcyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1
InChIInChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
InChIKeyACQBHJXEAYTHCY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.01
Rot. Bonds7

About cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone

cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone (PubChem CID 6422124) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
PubChem CID6422124
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namecyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1
InChIInChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
InChIKeyACQBHJXEAYTHCY-UHFFFAOYSA-N
XLogP3.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone (CID 6422124) is cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone is O=C(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone?
The InChIKey is ACQBHJXEAYTHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18).
What are the key properties of cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone?
cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone has a molecular weight of 270.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone is sourced from PubChem (CID 6422124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).