6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine

C19H25N7 — CID 175354559

IUPAC6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCC(c1nc(N)nc(N)n1)n1ccnc1-c1ccccc1
InChIInChI=1S/C19H25N7/c1-2-3-4-8-11-15(16-23-18(20)25-19(21)24-16)26-13-12-22-17(26)14-9-6-5-7-10-14/h5-7,9-10,12-13,15H,2-4,8,11H2,1H3,(H4,20,21,23,24,25)
InChIKeyJXVCNLPQALOGSO-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.46
Rot. Bonds8

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

6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine (PubChem CID 175354559) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
PubChem CID175354559
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCC(c1nc(N)nc(N)n1)n1ccnc1-c1ccccc1
InChIInChI=1S/C19H25N7/c1-2-3-4-8-11-15(16-23-18(20)25-19(21)24-16)26-13-12-22-17(26)14-9-6-5-7-10-14/h5-7,9-10,12-13,15H,2-4,8,11H2,1H3,(H4,20,21,23,24,25)
InChIKeyJXVCNLPQALOGSO-UHFFFAOYSA-N
XLogP3.46
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
CID 175120563
6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
CID 175121213
2-phenyl-1-propan-2-ylimidazole
CID 12997870
6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
CID 175127934
bis(1-methyl-2-phenylimidazole);pentane
CID 134304641
N-methyl-2-phenyl-2-(2-phenylimidazol-1-yl)ethanamine
CID 62566802
bis(2-ethylhexyl) 2-(2-phenylimidazol-1-yl)butanedioate
CID 132539980
2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
2-dodecan-2-yl-1-propan-2-ylimidazole
CID 69408274
6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 175118540
2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid
CID 83041133
2-(2-phenylimidazol-1-yl)hexanedinitrile
CID 174838336

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine (CID 175354559) is 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine is CCCCCCC(c1nc(N)nc(N)n1)n1ccnc1-c1ccccc1.
What is the InChIKey of 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JXVCNLPQALOGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-2-3-4-8-11-15(16-23-18(20)25-19(21)24-16)26-13-12-22-17(26)14-9-6-5-7-10-14/h5-7,9-10,12-13,15H,2-4,8,11H2,1H3,(H4,20,21,23,24,25).
What are the key properties of 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine?
6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 351.46 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175354559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).