5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole

C22H21FN4O — CID 95131006

IUPAC5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
SMILESCOc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2cnn(C)c2)ccc1F
InChIInChI=1S/C22H21FN4O/c1-15(18-12-25-26(2)13-18)27-14-24-21(16-7-5-4-6-8-16)22(27)17-9-10-19(23)20(11-17)28-3/h4-15H,1-3H3/t15-/m0/s1
InChIKeyWSJXMNYAKATXFO-HNNXBMFYSA-N
MW376.44 g/mol
LogP4.71
Rot. Bonds5

About 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole

5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole (PubChem CID 95131006) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
PubChem CID95131006
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
SMILESCOc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2cnn(C)c2)ccc1F
InChIInChI=1S/C22H21FN4O/c1-15(18-12-25-26(2)13-18)27-14-24-21(16-7-5-4-6-8-16)22(27)17-9-10-19(23)20(11-17)28-3/h4-15H,1-3H3/t15-/m0/s1
InChIKeyWSJXMNYAKATXFO-HNNXBMFYSA-N
XLogP4.71
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole (CID 95131006) is 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole is COc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2cnn(C)c2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole?
The InChIKey is WSJXMNYAKATXFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-15(18-12-25-26(2)13-18)27-14-24-21(16-7-5-4-6-8-16)22(27)17-9-10-19(23)20(11-17)28-3/h4-15H,1-3H3/t15-/m0/s1.
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole?
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole has a molecular weight of 376.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole is sourced from PubChem (CID 95131006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).