5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole

C14H18N2 — CID 142171931

IUPAC5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole
SMILESC1=CC2=C(CC1)CCCC2Cc1cnc[nH]1
InChIInChI=1S/C14H18N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h2,7,9-10,12H,1,3-6,8H2,(H,15,16)
InChIKeyAAURXEIYQLBUKY-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.40
Rot. Bonds2

About 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole

5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole (PubChem CID 142171931) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole
PubChem CID142171931
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole
SMILESC1=CC2=C(CC1)CCCC2Cc1cnc[nH]1
InChIInChI=1S/C14H18N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h2,7,9-10,12H,1,3-6,8H2,(H,15,16)
InChIKeyAAURXEIYQLBUKY-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole (CID 142171931) is 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole is C1=CC2=C(CC1)CCCC2Cc1cnc[nH]1.
What is the InChIKey of 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole?
The InChIKey is AAURXEIYQLBUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h2,7,9-10,12H,1,3-6,8H2,(H,15,16).
What are the key properties of 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole?
5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole is sourced from PubChem (CID 142171931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).