2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide

C23H23FN6O — CID 57329500

IUPAC2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C23H23FN6O/c1-23(2,3)30-19-8-5-13(14-11-27-22(25)28-12-14)9-18(19)29-20(30)16-7-6-15(24)10-17(16)21(31)26-4/h5-12H,1-4H3,(H,26,31)(H2,25,27,28)
InChIKeyFLCMVFHISLHISR-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.00
Rot. Bonds3

About 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide

2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide (PubChem CID 57329500) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide
PubChem CID57329500
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C23H23FN6O/c1-23(2,3)30-19-8-5-13(14-11-27-22(25)28-12-14)9-18(19)29-20(30)16-7-6-15(24)10-17(16)21(31)26-4/h5-12H,1-4H3,(H,26,31)(H2,25,27,28)
InChIKeyFLCMVFHISLHISR-UHFFFAOYSA-N
XLogP4.00
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide (CID 57329500) is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide is CNC(=O)c1cc(F)ccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.
What is the InChIKey of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide?
The InChIKey is FLCMVFHISLHISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-23(2,3)30-19-8-5-13(14-11-27-22(25)28-12-14)9-18(19)29-20(30)16-7-6-15(24)10-17(16)21(31)26-4/h5-12H,1-4H3,(H,26,31)(H2,25,27,28).
What are the key properties of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide?
2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide has a molecular weight of 418.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 57329500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).