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

C16H20N2O2 — CID 6422122

IUPACcyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol
SMILESOC(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1
InChIInChI=1S/C16H20N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12,16,19H,1-4,9H2,(H,17,18)
InChIKeyXUHJGSXYONRISX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.86
Rot. Bonds7

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

cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol (PubChem CID 6422122) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol
PubChem CID6422122
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namecyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol
SMILESOC(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1
InChIInChI=1S/C16H20N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12,16,19H,1-4,9H2,(H,17,18)
InChIKeyXUHJGSXYONRISX-UHFFFAOYSA-N
XLogP2.86
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ciproxifan
CID 6422124
Ucl-1390
CID 6421295
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
Ciproxifan maleate
CID 16219152
Ciproxifan maleate(FUB-359 maleate)
CID 46700835
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629
4-{3-[4-(3,3-Dimethyl-but-1-ynyl)-phenoxy]-propyl}-1H-imidazole
CID 10779275

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol?
The IUPAC name of cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol (CID 6422122) is cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol.
What is the SMILES notation for cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol?
The canonical SMILES for cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol is OC(c1ccc(OCCCc2cnc[nH]2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol?
The InChIKey is XUHJGSXYONRISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12,16,19H,1-4,9H2,(H,17,18).
What are the key properties of cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol?
cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 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]methanol is sourced from PubChem (CID 6422122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).