2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine

C21H15N7 — CID 71233783

IUPAC2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine
SMILESc1ccc(-c2ccnc(Nc3ccc4nc(-c5ccccn5)[nH]c4c3)n2)nc1
InChIInChI=1S/C21H15N7/c1-3-10-22-15(5-1)17-9-12-24-21(28-17)25-14-7-8-16-19(13-14)27-20(26-16)18-6-2-4-11-23-18/h1-13H,(H,26,27)(H,24,25,28)
InChIKeyUCKUVXLCSRDOTL-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.22
Rot. Bonds4

About 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine

2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine (PubChem CID 71233783) has the molecular formula C21H15N7 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine
PubChem CID71233783
Molecular FormulaC21H15N7
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine
SMILESc1ccc(-c2ccnc(Nc3ccc4nc(-c5ccccn5)[nH]c4c3)n2)nc1
InChIInChI=1S/C21H15N7/c1-3-10-22-15(5-1)17-9-12-24-21(28-17)25-14-7-8-16-19(13-14)27-20(26-16)18-6-2-4-11-23-18/h1-13H,(H,26,27)(H,24,25,28)
InChIKeyUCKUVXLCSRDOTL-UHFFFAOYSA-N
XLogP4.22
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine 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-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine (CID 71233783) is 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine is c1ccc(-c2ccnc(Nc3ccc4nc(-c5ccccn5)[nH]c4c3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine?
The InChIKey is UCKUVXLCSRDOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7/c1-3-10-22-15(5-1)17-9-12-24-21(28-17)25-14-7-8-16-19(13-14)27-20(26-16)18-6-2-4-11-23-18/h1-13H,(H,26,27)(H,24,25,28).
What are the key properties of 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine?
2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine has a molecular weight of 365.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 71233783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).