N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine

C17H19N7 — CID 138037346

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine
SMILESCCn1cnc2c(N(C)CCc3nc4ccccc4[nH]3)ncnc21
InChIInChI=1S/C17H19N7/c1-3-24-11-20-15-16(18-10-19-17(15)24)23(2)9-8-14-21-12-6-4-5-7-13(12)22-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyCLSKDKGCOZOSSV-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine

N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine (PubChem CID 138037346) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine
PubChem CID138037346
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine
SMILESCCn1cnc2c(N(C)CCc3nc4ccccc4[nH]3)ncnc21
InChIInChI=1S/C17H19N7/c1-3-24-11-20-15-16(18-10-19-17(15)24)23(2)9-8-14-21-12-6-4-5-7-13(12)22-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyCLSKDKGCOZOSSV-UHFFFAOYSA-N
XLogP2.40
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-9-ethyl-N-methylpurin-6-amine
CID 163348599
CID 87640795
CID 87640795
2-docosyl-1H-benzimidazole
CID 141189761
N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
CID 79036370
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50966877
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956
3-(1H-benzimidazol-2-yl)propanenitrile;N,N-dimethylformamide
CID 174781371
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
2-[(E)-hex-3-enyl]-1H-benzimidazole
CID 96559916
2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline
CID 56879841

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine (CID 138037346) is N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine is CCn1cnc2c(N(C)CCc3nc4ccccc4[nH]3)ncnc21.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine?
The InChIKey is CLSKDKGCOZOSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-3-24-11-20-15-16(18-10-19-17(15)24)23(2)9-8-14-21-12-6-4-5-7-13(12)22-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine?
N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine has a molecular weight of 321.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-9-ethyl-N-methylpurin-6-amine is sourced from PubChem (CID 138037346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).