6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol

C28H25FN4O2 — CID 71525025

IUPAC6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(O)c(F)ccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C28H25FN4O2/c1-33(2)15-16-35-22-7-3-19(4-8-22)28-31-25(18-11-13-30-14-12-18)26(32-28)21-5-9-23-20(17-21)6-10-24(29)27(23)34/h3-14,17,34H,15-16H2,1-2H3,(H,31,32)
InChIKeyGNSVBVCNDNNDOI-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.74
Rot. Bonds7

About 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol

6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol (PubChem CID 71525025) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol.

Molecular Properties

Compound Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol
PubChem CID71525025
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(O)c(F)ccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C28H25FN4O2/c1-33(2)15-16-35-22-7-3-19(4-8-22)28-31-25(18-11-13-30-14-12-18)26(32-28)21-5-9-23-20(17-21)6-10-24(29)27(23)34/h3-14,17,34H,15-16H2,1-2H3,(H,31,32)
InChIKeyGNSVBVCNDNNDOI-UHFFFAOYSA-N
XLogP5.74
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol?
The IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol (CID 71525025) is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol.
What is the SMILES notation for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol?
The canonical SMILES for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol is CN(C)CCOc1ccc(-c2nc(-c3ccc4c(O)c(F)ccc4c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol?
The InChIKey is GNSVBVCNDNNDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-33(2)15-16-35-22-7-3-19(4-8-22)28-31-25(18-11-13-30-14-12-18)26(32-28)21-5-9-23-20(17-21)6-10-24(29)27(23)34/h3-14,17,34H,15-16H2,1-2H3,(H,31,32).
What are the key properties of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol?
6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol has a molecular weight of 468.53 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluoronaphthalen-1-ol is sourced from PubChem (CID 71525025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).