5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole

C16H20N2O — CID 10729785

IUPAC5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole
SMILESc1ncc(CCCOc2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C16H20N2O/c1-2-5-14-10-16(8-7-13(14)4-1)19-9-3-6-15-11-17-12-18-15/h7-8,10-12H,1-6,9H2,(H,17,18)
InChIKeyXLZPWTDUULUNNH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.30
Rot. Bonds5

About 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole

5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole (PubChem CID 10729785) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole
PubChem CID10729785
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole
SMILESc1ncc(CCCOc2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C16H20N2O/c1-2-5-14-10-16(8-7-13(14)4-1)19-9-3-6-15-11-17-12-18-15/h7-8,10-12H,1-6,9H2,(H,17,18)
InChIKeyXLZPWTDUULUNNH-UHFFFAOYSA-N
XLogP3.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ucl-1390
CID 6421295
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanol
CID 6422122
Imidazole, 4-(2-(2-naphthyloxy)ethyl)-
CID 202200
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
CID 10681081
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole (CID 10729785) is 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole is c1ncc(CCCOc2ccc3c(c2)CCCC3)[nH]1.
What is the InChIKey of 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole?
The InChIKey is XLZPWTDUULUNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-5-14-10-16(8-7-13(14)4-1)19-9-3-6-15-11-17-12-18-15/h7-8,10-12H,1-6,9H2,(H,17,18).
What are the key properties of 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole?
5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole has a molecular weight of 256.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-imidazole is sourced from PubChem (CID 10729785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).