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

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Related Compounds

N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
CID 168594981
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-pyridin-2-yl-3H-benzimidazole-5-carbaldehyde
CID 84756492
3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
CID 7044978
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 11674510
1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide
CID 122156351

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).