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

C21H15N7 — CID 56642084

IUPACN-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine
SMILESc1cc(Nc2ncc(-c3ccc4nc(-c5ccncc5)[nH]c4c3)cn2)ccn1
InChIInChI=1S/C21H15N7/c1-2-18-19(28-20(27-18)14-3-7-22-8-4-14)11-15(1)16-12-24-21(25-13-16)26-17-5-9-23-10-6-17/h1-13H,(H,27,28)(H,23,24,25,26)
InChIKeyIMRUPLAUIATNEF-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.22
Rot. Bonds4

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

N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine (PubChem CID 56642084) has the molecular formula C21H15N7 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine
PubChem CID56642084
Molecular FormulaC21H15N7
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC NameN-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine
SMILESc1cc(Nc2ncc(-c3ccc4nc(-c5ccncc5)[nH]c4c3)cn2)ccn1
InChIInChI=1S/C21H15N7/c1-2-18-19(28-20(27-18)14-3-7-22-8-4-14)11-15(1)16-12-24-21(25-13-16)26-17-5-9-23-10-6-17/h1-13H,(H,27,28)(H,23,24,25,26)
InChIKeyIMRUPLAUIATNEF-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-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]pyridin-4-amine
CID 157043965
2-pyridin-4-yl-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridine
CID 54674924
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
2-(4-aminophenyl)-N-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-6-amine;ethane
CID 157043388
N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 168807090
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
6-(3H-imidazo[4,5-c]pyridin-2-yl)-4-pyridin-4-ylquinoline
CID 59860180
4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 116974909
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)anilino]ethanol
CID 63268630

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine (CID 56642084) is N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine is c1cc(Nc2ncc(-c3ccc4nc(-c5ccncc5)[nH]c4c3)cn2)ccn1.
What is the InChIKey of N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine?
The InChIKey is IMRUPLAUIATNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7/c1-2-18-19(28-20(27-18)14-3-7-22-8-4-14)11-15(1)16-12-24-21(25-13-16)26-17-5-9-23-10-6-17/h1-13H,(H,27,28)(H,23,24,25,26).
What are the key properties of N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine?
N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-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 N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 56642084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).