6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C16H21N7OS — CID 17467601

IUPAC6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCCn1c(SCc2nc(N)nc(N(C)C)n2)nc2ccccc21
InChIInChI=1S/C16H21N7OS/c1-22(2)15-20-13(19-14(17)21-15)10-25-16-18-11-6-4-5-7-12(11)23(16)8-9-24-3/h4-7H,8-10H2,1-3H3,(H2,17,19,20,21)
InChIKeyZUISUTREMYWJEO-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.81
Rot. Bonds7

About 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17467601) has the molecular formula C16H21N7OS and a molecular weight of 359.46 g/mol. Its IUPAC name is 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17467601
Molecular FormulaC16H21N7OS
Molecular Weight359.46 g/mol
Exact Mass359.15
IUPAC Name6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCCn1c(SCc2nc(N)nc(N(C)C)n2)nc2ccccc21
InChIInChI=1S/C16H21N7OS/c1-22(2)15-20-13(19-14(17)21-15)10-25-16-18-11-6-4-5-7-12(11)23(16)8-9-24-3/h4-7H,8-10H2,1-3H3,(H2,17,19,20,21)
InChIKeyZUISUTREMYWJEO-UHFFFAOYSA-N
XLogP1.81
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 24629504
N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 42966797
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
6-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 40507353
4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 31932042
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 37133115
6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24567591
1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole
CID 60586302

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17467601) is 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COCCn1c(SCc2nc(N)nc(N(C)C)n2)nc2ccccc21.
What is the InChIKey of 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZUISUTREMYWJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7OS/c1-22(2)15-20-13(19-14(17)21-15)10-25-16-18-11-6-4-5-7-12(11)23(16)8-9-24-3/h4-7H,8-10H2,1-3H3,(H2,17,19,20,21).
What are the key properties of 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 359.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17467601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).