2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide

C27H25N7O — CID 56956258

IUPAC2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide
SMILESCC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C27H25N7O/c1-27(2,3)34-23-9-8-17(18-15-30-26(28)31-16-18)14-22(23)33-24(34)20-6-4-5-7-21(20)25(35)32-19-10-12-29-13-11-19/h4-16H,1-3H3,(H2,28,30,31)(H,29,32,35)
InChIKeyTXGKTJNTZQOYEI-UHFFFAOYSA-N
MW463.55 g/mol
LogP5.14
Rot. Bonds4

About 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide

2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide (PubChem CID 56956258) 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-4-ylbenzamide.

Molecular Properties

Compound Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide
PubChem CID56956258
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide
SMILESCC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C27H25N7O/c1-27(2,3)34-23-9-8-17(18-15-30-26(28)31-16-18)14-22(23)33-24(34)20-6-4-5-7-21(20)25(35)32-19-10-12-29-13-11-19/h4-16H,1-3H3,(H2,28,30,31)(H,29,32,35)
InChIKeyTXGKTJNTZQOYEI-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

Analyze 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide (CID 56956258) is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide is CC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21.
What is the InChIKey of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide?
The InChIKey is TXGKTJNTZQOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-27(2,3)34-23-9-8-17(18-15-30-26(28)31-16-18)14-22(23)33-24(34)20-6-4-5-7-21(20)25(35)32-19-10-12-29-13-11-19/h4-16H,1-3H3,(H2,28,30,31)(H,29,32,35).
What are the key properties of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide?
2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-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-4-ylbenzamide is sourced from PubChem (CID 56956258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).