3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide

C23H21FN4O2 — CID 139593668

IUPAC3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide
SMILESCC(C)(O)Cn1c(NC(=O)c2cc(F)cc(-c3cccnc3)c2)nc2ccccc21
InChIInChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29)
InChIKeyDJZWMTBYRCKZMQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.26
Rot. Bonds5

About 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide

3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide (PubChem CID 139593668) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide
PubChem CID139593668
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide
SMILESCC(C)(O)Cn1c(NC(=O)c2cc(F)cc(-c3cccnc3)c2)nc2ccccc21
InChIInChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29)
InChIKeyDJZWMTBYRCKZMQ-UHFFFAOYSA-N
XLogP4.26
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide?
The IUPAC name of 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide (CID 139593668) is 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide is CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(-c3cccnc3)c2)nc2ccccc21.
What is the InChIKey of 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide?
The InChIKey is DJZWMTBYRCKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29).
What are the key properties of 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide?
3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide has a molecular weight of 404.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-pyridin-3-ylbenzamide is sourced from PubChem (CID 139593668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).