2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane

C17H26N2 — CID 144633691

IUPAC2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane
SMILESCCC.Cc1ncc(-c2ccc(C)c3c2CCC3)[nH]1.[H][H]
InChIInChI=1S/C14H16N2.C3H8.H2/c1-9-6-7-13(12-5-3-4-11(9)12)14-8-15-10(2)16-14;1-3-2;/h6-8H,3-5H2,1-2H3,(H,15,16);3H2,1-2H3;1H
InChIKeyANYGNHNCLZRQQX-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.84
Rot. Bonds1

About 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane

2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane (PubChem CID 144633691) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane.

Molecular Properties

Compound Name2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane
PubChem CID144633691
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane
SMILESCCC.Cc1ncc(-c2ccc(C)c3c2CCC3)[nH]1.[H][H]
InChIInChI=1S/C14H16N2.C3H8.H2/c1-9-6-7-13(12-5-3-4-11(9)12)14-8-15-10(2)16-14;1-3-2;/h6-8H,3-5H2,1-2H3,(H,15,16);3H2,1-2H3;1H
InChIKeyANYGNHNCLZRQQX-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane?
The IUPAC name of 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane (CID 144633691) is 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane.
What is the SMILES notation for 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane?
The canonical SMILES for 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane is CCC.Cc1ncc(-c2ccc(C)c3c2CCC3)[nH]1.[H][H].
What is the InChIKey of 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane?
The InChIKey is ANYGNHNCLZRQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C3H8.H2/c1-9-6-7-13(12-5-3-4-11(9)12)14-8-15-10(2)16-14;1-3-2;/h6-8H,3-5H2,1-2H3,(H,15,16);3H2,1-2H3;1H.
What are the key properties of 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane?
2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane has a molecular weight of 258.41 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane is sourced from PubChem (CID 144633691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).