1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole

C14H15FN2O — CID 102990484

IUPAC1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole
SMILESCc1ccc(F)cc1OCc1cncn1C1CC1
InChIInChI=1S/C14H15FN2O/c1-10-2-3-11(15)6-14(10)18-8-13-7-16-9-17(13)12-4-5-12/h2-3,6-7,9,12H,4-5,8H2,1H3
InChIKeyYQFCQDYXIBBKIC-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.24
Rot. Bonds4

About 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole

1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole (PubChem CID 102990484) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole
PubChem CID102990484
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole
SMILESCc1ccc(F)cc1OCc1cncn1C1CC1
InChIInChI=1S/C14H15FN2O/c1-10-2-3-11(15)6-14(10)18-8-13-7-16-9-17(13)12-4-5-12/h2-3,6-7,9,12H,4-5,8H2,1H3
InChIKeyYQFCQDYXIBBKIC-UHFFFAOYSA-N
XLogP3.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole?
The IUPAC name of 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole (CID 102990484) is 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole.
What is the SMILES notation for 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole?
The canonical SMILES for 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole is Cc1ccc(F)cc1OCc1cncn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole?
The InChIKey is YQFCQDYXIBBKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10-2-3-11(15)6-14(10)18-8-13-7-16-9-17(13)12-4-5-12/h2-3,6-7,9,12H,4-5,8H2,1H3.
What are the key properties of 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole?
1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole has a molecular weight of 246.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole is sourced from PubChem (CID 102990484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).