ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

C17H28N2 — CID 91000724

IUPACethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESCC.CC.c1ccc2c(c1)CCCC2C1=NCCN1
InChIInChI=1S/C13H16N2.2C2H6/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;2*1-2/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);2*1-2H3
InChIKeyZGHUKOZTDIFVAC-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.16
Rot. Bonds1

About ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole (PubChem CID 91000724) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
PubChem CID91000724
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Nameethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESCC.CC.c1ccc2c(c1)CCCC2C1=NCCN1
InChIInChI=1S/C13H16N2.2C2H6/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;2*1-2/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);2*1-2H3
InChIKeyZGHUKOZTDIFVAC-UHFFFAOYSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 22388703
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 69119731
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 24739290
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 161447711
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 21390927
2-(5-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 66793847
2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole
CID 129362563
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
CID 66821619
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole (CID 91000724) is ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole is CC.CC.c1ccc2c(c1)CCCC2C1=NCCN1.
What is the InChIKey of ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is ZGHUKOZTDIFVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.2C2H6/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;2*1-2/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);2*1-2H3.
What are the key properties of ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 260.43 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 91000724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).