4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol

C19H22N8O — CID 117093287

IUPAC4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc3ncnc(NCc4nc5ccccc5[nH]4)c3[nH]2)CC1
InChIInChI=1S/C19H22N8O/c28-12-7-5-11(6-8-12)23-19-26-16-17(21-10-22-18(16)27-19)20-9-15-24-13-3-1-2-4-14(13)25-15/h1-4,10-12,28H,5-9H2,(H,24,25)(H3,20,21,22,23,26,27)
InChIKeyQBQWBWHYFHFHJL-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.56
Rot. Bonds5

About 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol

4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol (PubChem CID 117093287) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol
PubChem CID117093287
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc3ncnc(NCc4nc5ccccc5[nH]4)c3[nH]2)CC1
InChIInChI=1S/C19H22N8O/c28-12-7-5-11(6-8-12)23-19-26-16-17(21-10-22-18(16)27-19)20-9-15-24-13-3-1-2-4-14(13)25-15/h1-4,10-12,28H,5-9H2,(H,24,25)(H3,20,21,22,23,26,27)
InChIKeyQBQWBWHYFHFHJL-UHFFFAOYSA-N
XLogP2.56
TPSA127.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine
CID 117093902
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43393264
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine
CID 117092742
N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
CID 71937473
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
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

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol (CID 117093287) is 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc3ncnc(NCc4nc5ccccc5[nH]4)c3[nH]2)CC1.
What is the InChIKey of 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol?
The InChIKey is QBQWBWHYFHFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c28-12-7-5-11(6-8-12)23-19-26-16-17(21-10-22-18(16)27-19)20-9-15-24-13-3-1-2-4-14(13)25-15/h1-4,10-12,28H,5-9H2,(H,24,25)(H3,20,21,22,23,26,27).
What are the key properties of 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol?
4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol has a molecular weight of 378.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1H-benzimidazol-2-ylmethylamino)-7H-purin-8-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 117093287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).