5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane

C17H26N2 — CID 144633819

IUPAC5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane
SMILESCCC.Cc1ccc(-c2cnc[nH]2)c2c1CCCC2.[H][H]
InChIInChI=1S/C14H16N2.C3H8.H2/c1-10-6-7-13(14-8-15-9-16-14)12-5-3-2-4-11(10)12;1-3-2;/h6-9H,2-5H2,1H3,(H,15,16);3H2,1-2H3;1H
InChIKeyTYUOTTXTMZIIDU-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.93
Rot. Bonds1

About 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane

5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane (PubChem CID 144633819) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane.

Molecular Properties

Compound Name5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane
PubChem CID144633819
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane
SMILESCCC.Cc1ccc(-c2cnc[nH]2)c2c1CCCC2.[H][H]
InChIInChI=1S/C14H16N2.C3H8.H2/c1-10-6-7-13(14-8-15-9-16-14)12-5-3-2-4-11(10)12;1-3-2;/h6-9H,2-5H2,1H3,(H,15,16);3H2,1-2H3;1H
InChIKeyTYUOTTXTMZIIDU-UHFFFAOYSA-N
XLogP4.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane
CID 144633691
ethane;2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen
CID 144594165
5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole
CID 144689959
5-(5-tert-butyl-2-methylphenyl)-1H-imidazole
CID 82078469
3-(1H-imidazol-5-yl)-4,5-dimethylpyridine
CID 20580692
5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786
5-(2,3,4-trichlorophenyl)-1H-imidazole
CID 22367963
2-(1H-imidazol-5-yl)aniline;dihydrochloride
CID 155973164
ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
CID 67207597
5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole
CID 169050221
2-hydroxy-3-(1H-imidazol-5-yl)-4-methylbenzoic acid
CID 150115849
[2-(1H-imidazol-5-yl)phenyl]methanamine
CID 21023616

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane?
The IUPAC name of 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane (CID 144633819) is 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane.
What is the SMILES notation for 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane?
The canonical SMILES for 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane is CCC.Cc1ccc(-c2cnc[nH]2)c2c1CCCC2.[H][H].
What is the InChIKey of 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane?
The InChIKey is TYUOTTXTMZIIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C3H8.H2/c1-10-6-7-13(14-8-15-9-16-14)12-5-3-2-4-11(10)12;1-3-2;/h6-9H,2-5H2,1H3,(H,15,16);3H2,1-2H3;1H.
What are the key properties of 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane?
5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane has a molecular weight of 258.41 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane is sourced from PubChem (CID 144633819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).