5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole

C16H18N2 — CID 144689959

IUPAC5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole
SMILESC=C(C)c1ncc(-c2ccc(C)c3c2CCC3)[nH]1
InChIInChI=1S/C16H18N2/c1-10(2)16-17-9-15(18-16)14-8-7-11(3)12-5-4-6-13(12)14/h7-9H,1,4-6H2,2-3H3,(H,17,18)
InChIKeyISYRYKUWLQMCRJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.91
Rot. Bonds2

About 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole

5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole (PubChem CID 144689959) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole
PubChem CID144689959
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole
SMILESC=C(C)c1ncc(-c2ccc(C)c3c2CCC3)[nH]1
InChIInChI=1S/C16H18N2/c1-10(2)16-17-9-15(18-16)14-8-7-11(3)12-5-4-6-13(12)14/h7-9H,1,4-6H2,2-3H3,(H,17,18)
InChIKeyISYRYKUWLQMCRJ-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen
CID 144594165
2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane
CID 144633691
5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane
CID 144633819
5-ethyl-2-prop-1-en-2-yl-1H-imidazole
CID 174177216
1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880715
5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole
CID 166836338
(7-methyl-2,3-dihydro-1H-inden-4-yl)methanol
CID 117276140
1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
CID 116880631
2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 117281877
5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine
CID 117305645
1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880650
1-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)pyrazole-3-carboxylic acid
CID 117394178

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole?
The IUPAC name of 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole (CID 144689959) is 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole.
What is the SMILES notation for 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole?
The canonical SMILES for 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole is C=C(C)c1ncc(-c2ccc(C)c3c2CCC3)[nH]1.
What is the InChIKey of 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole?
The InChIKey is ISYRYKUWLQMCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-10(2)16-17-9-15(18-16)14-8-7-11(3)12-5-4-6-13(12)14/h7-9H,1,4-6H2,2-3H3,(H,17,18).
What are the key properties of 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole?
5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole has a molecular weight of 238.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-2-prop-1-en-2-yl-1H-imidazole is sourced from PubChem (CID 144689959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).