2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide

C24H23N7O — CID 57329253

IUPAC2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide
SMILESCNC(=O)c1ccc(C#N)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C24H23N7O/c1-24(2,3)31-20-8-6-15(16-12-28-23(26)29-13-16)10-19(20)30-21(31)18-9-14(11-25)5-7-17(18)22(32)27-4/h5-10,12-13H,1-4H3,(H,27,32)(H2,26,28,29)
InChIKeyRZAKHCVNJSYQOI-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.73
Rot. Bonds3

About 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide

2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide (PubChem CID 57329253) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide.

Molecular Properties

Compound Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide
PubChem CID57329253
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide
SMILESCNC(=O)c1ccc(C#N)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C24H23N7O/c1-24(2,3)31-20-8-6-15(16-12-28-23(26)29-13-16)10-19(20)30-21(31)18-9-14(11-25)5-7-17(18)22(32)27-4/h5-10,12-13H,1-4H3,(H,27,32)(H2,26,28,29)
InChIKeyRZAKHCVNJSYQOI-UHFFFAOYSA-N
XLogP3.73
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide?
The IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide (CID 57329253) is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide.
What is the SMILES notation for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide?
The canonical SMILES for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide is CNC(=O)c1ccc(C#N)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.
What is the InChIKey of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide?
The InChIKey is RZAKHCVNJSYQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-24(2,3)31-20-8-6-15(16-12-28-23(26)29-13-16)10-19(20)30-21(31)18-9-14(11-25)5-7-17(18)22(32)27-4/h5-10,12-13H,1-4H3,(H,27,32)(H2,26,28,29).
What are the key properties of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide?
2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide has a molecular weight of 425.50 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylbenzamide is sourced from PubChem (CID 57329253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).