(1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol

C23H20FN3O2 — CID 95149376

IUPAC(1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
SMILESCOc1ccc(-c2c(-c3ccccc3)ncn2C[C@H](O)c2cccnc2)c(F)c1
InChIInChI=1S/C23H20FN3O2/c1-29-18-9-10-19(20(24)12-18)23-22(16-6-3-2-4-7-16)26-15-27(23)14-21(28)17-8-5-11-25-13-17/h2-13,15,21,28H,14H2,1H3/t21-/m0/s1
InChIKeyAUDCWMORMAVYED-NRFANRHFSA-N
MW389.43 g/mol
LogP4.49
Rot. Bonds6

About (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol

(1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol (PubChem CID 95149376) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
PubChem CID95149376
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name(1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
SMILESCOc1ccc(-c2c(-c3ccccc3)ncn2C[C@H](O)c2cccnc2)c(F)c1
InChIInChI=1S/C23H20FN3O2/c1-29-18-9-10-19(20(24)12-18)23-22(16-6-3-2-4-7-16)26-15-27(23)14-21(28)17-8-5-11-25-13-17/h2-13,15,21,28H,14H2,1H3/t21-/m0/s1
InChIKeyAUDCWMORMAVYED-NRFANRHFSA-N
XLogP4.49
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol (CID 95149376) is (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol is COc1ccc(-c2c(-c3ccccc3)ncn2C[C@H](O)c2cccnc2)c(F)c1.
What is the InChIKey of (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol?
The InChIKey is AUDCWMORMAVYED-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-29-18-9-10-19(20(24)12-18)23-22(16-6-3-2-4-7-16)26-15-27(23)14-21(28)17-8-5-11-25-13-17/h2-13,15,21,28H,14H2,1H3/t21-/m0/s1.
What are the key properties of (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol?
(1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol has a molecular weight of 389.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[5-(2-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 95149376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).