N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine

C16H17N7O — CID 39771137

IUPACN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine
SMILESCOc1ccc2nc(CCN(C)c3ncnc4nc[nH]c34)[nH]c2c1
InChIInChI=1S/C16H17N7O/c1-23(16-14-15(18-8-17-14)19-9-20-16)6-5-13-21-11-4-3-10(24-2)7-12(11)22-13/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H,17,18,19,20)
InChIKeyXXZVYUMEEAMIRR-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine (PubChem CID 39771137) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine
PubChem CID39771137
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine
SMILESCOc1ccc2nc(CCN(C)c3ncnc4nc[nH]c34)[nH]c2c1
InChIInChI=1S/C16H17N7O/c1-23(16-14-15(18-8-17-14)19-9-20-16)6-5-13-21-11-4-3-10(24-2)7-12(11)22-13/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H,17,18,19,20)
InChIKeyXXZVYUMEEAMIRR-UHFFFAOYSA-N
XLogP1.92
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72922068
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 62593872
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N-(4-chlorobutyl)-N-methyl-7H-purin-6-amine
CID 13285773
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479729
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125172872
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine?
The IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine (CID 39771137) is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine.
What is the SMILES notation for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine?
The canonical SMILES for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine is COc1ccc2nc(CCN(C)c3ncnc4nc[nH]c34)[nH]c2c1.
What is the InChIKey of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine?
The InChIKey is XXZVYUMEEAMIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-23(16-14-15(18-8-17-14)19-9-20-16)6-5-13-21-11-4-3-10(24-2)7-12(11)22-13/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H,17,18,19,20).
What are the key properties of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine?
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine has a molecular weight of 323.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 39771137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).