2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide

C27H25N7O — CID 57329097

IUPAC2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide
SMILESCC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccccn2)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C27H25N7O/c1-27(2,3)34-22-12-11-17(18-15-30-26(28)31-16-18)14-21(22)32-24(34)19-8-4-5-9-20(19)25(35)33-23-10-6-7-13-29-23/h4-16H,1-3H3,(H2,28,30,31)(H,29,33,35)
InChIKeyILLHEVNYTPWDPF-UHFFFAOYSA-N
MW463.55 g/mol
LogP5.14
Rot. Bonds4

About 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide

2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide (PubChem CID 57329097) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide
PubChem CID57329097
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide
SMILESCC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccccn2)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C27H25N7O/c1-27(2,3)34-22-12-11-17(18-15-30-26(28)31-16-18)14-21(22)32-24(34)19-8-4-5-9-20(19)25(35)33-23-10-6-7-13-29-23/h4-16H,1-3H3,(H2,28,30,31)(H,29,33,35)
InChIKeyILLHEVNYTPWDPF-UHFFFAOYSA-N
XLogP5.14
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 55.14
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]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide (CID 57329097) is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide is CC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccccn2)nc2cc(-c3cnc(N)nc3)ccc21.
What is the InChIKey of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is ILLHEVNYTPWDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-27(2,3)34-22-12-11-17(18-15-30-26(28)31-16-18)14-21(22)32-24(34)19-8-4-5-9-20(19)25(35)33-23-10-6-7-13-29-23/h4-16H,1-3H3,(H2,28,30,31)(H,29,33,35).
What are the key properties of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide?
2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 463.55 g/mol, XLogP of 5.14, 4 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]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 57329097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).