6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine

C15H14N6S — CID 86814384

IUPAC6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine
SMILESCc1nc2ccccc2n1CCSc1ncnc2nc[nH]c12
InChIInChI=1S/C15H14N6S/c1-10-20-11-4-2-3-5-12(11)21(10)6-7-22-15-13-14(17-8-16-13)18-9-19-15/h2-5,8-9H,6-7H2,1H3,(H,16,17,18,19)
InChIKeyZXHXXZAHYYTNTK-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.80
Rot. Bonds4

About 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine

6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine (PubChem CID 86814384) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine.

Molecular Properties

Compound Name6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine
PubChem CID86814384
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine
SMILESCc1nc2ccccc2n1CCSc1ncnc2nc[nH]c12
InChIInChI=1S/C15H14N6S/c1-10-20-11-4-2-3-5-12(11)21(10)6-7-22-15-13-14(17-8-16-13)18-9-19-15/h2-5,8-9H,6-7H2,1H3,(H,16,17,18,19)
InChIKeyZXHXXZAHYYTNTK-UHFFFAOYSA-N
XLogP2.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine 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

6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
2-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline
CID 62497271
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
5-amino-1-[3-(7H-purin-6-ylsulfanyl)propyl]pyridin-2-one
CID 62254658
3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine
CID 102988888
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
CID 71917032
3-benzyl-5-methoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one
CID 10296327
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide
CID 21371017

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine?
The IUPAC name of 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine (CID 86814384) is 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine.
What is the SMILES notation for 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine?
The canonical SMILES for 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine is Cc1nc2ccccc2n1CCSc1ncnc2nc[nH]c12.
What is the InChIKey of 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine?
The InChIKey is ZXHXXZAHYYTNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c1-10-20-11-4-2-3-5-12(11)21(10)6-7-22-15-13-14(17-8-16-13)18-9-19-15/h2-5,8-9H,6-7H2,1H3,(H,16,17,18,19).
What are the key properties of 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine?
6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine has a molecular weight of 310.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine is sourced from PubChem (CID 86814384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).