2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane

C17H27N3 — CID 159398992

IUPAC2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane
SMILESC.C.Cc1ccc2cc(C)[nH]c2c1.Cc1cnc(C)[nH]1
InChIInChI=1S/C10H11N.C5H8N2.2CH4/c1-7-3-4-9-6-8(2)11-10(9)5-7;1-4-3-6-5(2)7-4;;/h3-6,11H,1-2H3;3H,1-2H3,(H,6,7);2*1H4
InChIKeyLNCFEJAMKUWPPA-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.08
Rot. Bonds

About 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane

2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane (PubChem CID 159398992) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane.

Molecular Properties

Compound Name2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane
PubChem CID159398992
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane
SMILESC.C.Cc1ccc2cc(C)[nH]c2c1.Cc1cnc(C)[nH]1
InChIInChI=1S/C10H11N.C5H8N2.2CH4/c1-7-3-4-9-6-8(2)11-10(9)5-7;1-4-3-6-5(2)7-4;;/h3-6,11H,1-2H3;3H,1-2H3,(H,6,7);2*1H4
InChIKeyLNCFEJAMKUWPPA-UHFFFAOYSA-N
XLogP5.08
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-1H-imidazole;hydroiodide
CID 174505466
2,5-dimethyl-1H-imidazole;phosphane;hydrobromide
CID 173289689
2-fluoro-6-methyl-1H-indole
CID 150508639
2,5-dimethyl-1H-imidazole;ethanol
CID 175070090
CID 171655021
CID 171655021
2,6-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 156750914
ethane;2-methyl-1H-indole-6-carbonitrile
CID 145238002
2-(2,5-dimethylphenyl)-5-methyl-1H-imidazole
CID 151776982
2,5-dimethyl-1H-imidazole;urea
CID 172859252
ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine
CID 170611768
2,5-dimethyl-1H-indole;ethane;propane
CID 144992538
3,7-dimethyl-1H-quinolin-2-one
CID 12693830

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane?
The IUPAC name of 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane (CID 159398992) is 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane.
What is the SMILES notation for 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane?
The canonical SMILES for 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane is C.C.Cc1ccc2cc(C)[nH]c2c1.Cc1cnc(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane?
The InChIKey is LNCFEJAMKUWPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C5H8N2.2CH4/c1-7-3-4-9-6-8(2)11-10(9)5-7;1-4-3-6-5(2)7-4;;/h3-6,11H,1-2H3;3H,1-2H3,(H,6,7);2*1H4.
What are the key properties of 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane?
2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane has a molecular weight of 273.42 g/mol, XLogP of 5.08, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane is sourced from PubChem (CID 159398992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).