2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole

C16H17FN4O — CID 56760532

IUPAC2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole
SMILESCOc1ccc(F)c(-c2nccn2CCCn2ccnc2)c1
InChIInChI=1S/C16H17FN4O/c1-22-13-3-4-15(17)14(11-13)16-19-6-10-21(16)8-2-7-20-9-5-18-12-20/h3-6,9-12H,2,7-8H2,1H3
InChIKeyINMPGHSVOITDTH-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.98
Rot. Bonds6

About 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole

2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole (PubChem CID 56760532) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole
PubChem CID56760532
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole
SMILESCOc1ccc(F)c(-c2nccn2CCCn2ccnc2)c1
InChIInChI=1S/C16H17FN4O/c1-22-13-3-4-15(17)14(11-13)16-19-6-10-21(16)8-2-7-20-9-5-18-12-20/h3-6,9-12H,2,7-8H2,1H3
InChIKeyINMPGHSVOITDTH-UHFFFAOYSA-N
XLogP2.98
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154567236
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
CID 56748742
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 59575067
3-(3-imidazol-1-ylpropyl)-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 932398
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
2-(3-imidazol-1-ylpropyl)-6-methoxy-3-oxo-1H-isoindole-1-carbonitrile
CID 110448223
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole (CID 56760532) is 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole is COc1ccc(F)c(-c2nccn2CCCn2ccnc2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole?
The InChIKey is INMPGHSVOITDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-22-13-3-4-15(17)14(11-13)16-19-6-10-21(16)8-2-7-20-9-5-18-12-20/h3-6,9-12H,2,7-8H2,1H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole?
2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole has a molecular weight of 300.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole is sourced from PubChem (CID 56760532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).