6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine

C19H16N8 — CID 117092742

IUPAC6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine
SMILESc1ccc(Nc2nc(NCc3nc4ccccc4[nH]3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H16N8/c1-2-6-12(7-3-1)23-19-26-17(16-18(27-19)22-11-21-16)20-10-15-24-13-8-4-5-9-14(13)25-15/h1-9,11H,10H2,(H,24,25)(H3,20,21,22,23,26,27)
InChIKeyHMHKSXYPPLNGQX-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.58
Rot. Bonds5

About 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine

6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine (PubChem CID 117092742) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine
PubChem CID117092742
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine
SMILESc1ccc(Nc2nc(NCc3nc4ccccc4[nH]3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H16N8/c1-2-6-12(7-3-1)23-19-26-17(16-18(27-19)22-11-21-16)20-10-15-24-13-8-4-5-9-14(13)25-15/h1-9,11H,10H2,(H,24,25)(H3,20,21,22,23,26,27)
InChIKeyHMHKSXYPPLNGQX-UHFFFAOYSA-N
XLogP3.58
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-7H-purine-2,6-diamine
CID 117085067
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(4-fluorophenyl)methyl]-7H-purine-2,6-diamine
CID 142742326
N-(1H-benzimidazol-2-ylmethyl)-2-(4-methoxyphenyl)-7H-purin-6-amine
CID 117079410
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
6-N-benzyl-2-N-[3-(2-methoxyethoxy)phenyl]-7H-purine-2,6-diamine
CID 118426241
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117085764
2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine
CID 167822982
4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine
CID 117092679
N-[6-(benzylamino)-7H-purin-2-yl]benzamide
CID 155563377
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol
CID 117093287
6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine
CID 117093902

Frequently Asked Questions

What is the IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine (CID 117092742) is 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine is c1ccc(Nc2nc(NCc3nc4ccccc4[nH]3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine?
The InChIKey is HMHKSXYPPLNGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-2-6-12(7-3-1)23-19-26-17(16-18(27-19)22-11-21-16)20-10-15-24-13-8-4-5-9-14(13)25-15/h1-9,11H,10H2,(H,24,25)(H3,20,21,22,23,26,27).
What are the key properties of 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine?
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine has a molecular weight of 356.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine is sourced from PubChem (CID 117092742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).