6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine

C22H18N10 — CID 117093902

IUPAC6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine
SMILESc1ccc2[nH]c(CNc3ncnc4nc(Nc5ccc(-n6ccnc6)cc5)[nH]c34)nc2c1
InChIInChI=1S/C22H18N10/c1-2-4-17-16(3-1)28-18(29-17)11-24-20-19-21(26-12-25-20)31-22(30-19)27-14-5-7-15(8-6-14)32-10-9-23-13-32/h1-10,12-13H,11H2,(H,28,29)(H3,24,25,26,27,30,31)
InChIKeyZHYDKULNWPFOLS-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.77
Rot. Bonds6

About 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine

6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine (PubChem CID 117093902) has the molecular formula C22H18N10 and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine.

Molecular Properties

Compound Name6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine
PubChem CID117093902
Molecular FormulaC22H18N10
Molecular Weight422.46 g/mol
Exact Mass422.17
IUPAC Name6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine
SMILESc1ccc2[nH]c(CNc3ncnc4nc(Nc5ccc(-n6ccnc6)cc5)[nH]c34)nc2c1
InChIInChI=1S/C22H18N10/c1-2-4-17-16(3-1)28-18(29-17)11-24-20-19-21(26-12-25-20)31-22(30-19)27-14-5-7-15(8-6-14)32-10-9-23-13-32/h1-10,12-13H,11H2,(H,28,29)(H3,24,25,26,27,30,31)
InChIKeyZHYDKULNWPFOLS-UHFFFAOYSA-N
XLogP3.77
TPSA125.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine with MolForge

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Related Compounds

4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol
CID 117093287
N-(1H-benzimidazol-2-ylmethyl)-2-(4-imidazol-1-ylanilino)-1,3-thiazole-4-carboxamide
CID 117094388
3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 31409989
6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117087853
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine
CID 117092742
6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine
CID 13199460
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117085764
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-7H-purine-2,6-diamine
CID 117085067
4-N-(1H-benzimidazol-2-ylmethyl)-5-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine
CID 117094429
6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
CID 117092148
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289

Frequently Asked Questions

What is the IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine?
The IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine (CID 117093902) is 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine.
What is the SMILES notation for 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine?
The canonical SMILES for 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine is c1ccc2[nH]c(CNc3ncnc4nc(Nc5ccc(-n6ccnc6)cc5)[nH]c34)nc2c1.
What is the InChIKey of 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine?
The InChIKey is ZHYDKULNWPFOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N10/c1-2-4-17-16(3-1)28-18(29-17)11-24-20-19-21(26-12-25-20)31-22(30-19)27-14-5-7-15(8-6-14)32-10-9-23-13-32/h1-10,12-13H,11H2,(H,28,29)(H3,24,25,26,27,30,31).
What are the key properties of 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine?
6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine has a molecular weight of 422.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine is sourced from PubChem (CID 117093902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).