6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C18H17N7S — CID 25330697

IUPAC6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cn2c(SCc3ccccc3)nc3ccccc32)n1
InChIInChI=1S/C18H17N7S/c19-16-22-15(23-17(20)24-16)10-25-14-9-5-4-8-13(14)21-18(25)26-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H4,19,20,22,23,24)
InChIKeyKPBSMZWLMMVZFX-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.73
Rot. Bonds5

About 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine

6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 25330697) has the molecular formula C18H17N7S and a molecular weight of 363.45 g/mol. Its IUPAC name is 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID25330697
Molecular FormulaC18H17N7S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cn2c(SCc3ccccc3)nc3ccccc32)n1
InChIInChI=1S/C18H17N7S/c19-16-22-15(23-17(20)24-16)10-25-14-9-5-4-8-13(14)21-18(25)26-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H4,19,20,22,23,24)
InChIKeyKPBSMZWLMMVZFX-UHFFFAOYSA-N
XLogP2.73
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 675063
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4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
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6-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 40507353
1-benzyl-2-prop-2-enylsulfanylbenzimidazole
CID 46731894
1-(4-benzylpiperazin-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone
CID 4046484
2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
CID 40688936
4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol
CID 4782224
1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 23610017

Frequently Asked Questions

What is the IUPAC name of 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 25330697) is 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Cn2c(SCc3ccccc3)nc3ccccc32)n1.
What is the InChIKey of 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KPBSMZWLMMVZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7S/c19-16-22-15(23-17(20)24-16)10-25-14-9-5-4-8-13(14)21-18(25)26-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H4,19,20,22,23,24).
What are the key properties of 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 363.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25330697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).