2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole

C17H18ClFN4O — CID 70709924

IUPAC2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole
SMILESCCC(c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1
InChIInChI=1S/C17H18ClFN4O/c1-4-15(12-9-21-22(2)10-12)23-6-5-20-17(23)11-7-13(18)16(24-3)14(19)8-11/h5-10,15H,4H2,1-3H3
InChIKeyKHONZDHTUSDFQW-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole

2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole (PubChem CID 70709924) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole
PubChem CID70709924
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole
SMILESCCC(c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1
InChIInChI=1S/C17H18ClFN4O/c1-4-15(12-9-21-22(2)10-12)23-6-5-20-17(23)11-7-13(18)16(24-3)14(19)8-11/h5-10,15H,4H2,1-3H3
InChIKeyKHONZDHTUSDFQW-UHFFFAOYSA-N
XLogP4.08
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole?
The IUPAC name of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole (CID 70709924) is 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole.
What is the SMILES notation for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole?
The canonical SMILES for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole is CCC(c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole?
The InChIKey is KHONZDHTUSDFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-4-15(12-9-21-22(2)10-12)23-6-5-20-17(23)11-7-13(18)16(24-3)14(19)8-11/h5-10,15H,4H2,1-3H3.
What are the key properties of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole?
2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole has a molecular weight of 348.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[1-(1-methylpyrazol-4-yl)propyl]imidazole is sourced from PubChem (CID 70709924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).