1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole

C19H26N2O — CID 130177879

IUPAC1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
SMILESCOc1cc2c(cc1-n1ccnc1)CCC(C)C2C(C)(C)C
InChIInChI=1S/C19H26N2O/c1-13-6-7-14-10-16(21-9-8-20-12-21)17(22-5)11-15(14)18(13)19(2,3)4/h8-13,18H,6-7H2,1-5H3
InChIKeyKZLUBKSKWGIETB-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.59
Rot. Bonds2

About 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole

1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole (PubChem CID 130177879) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole.

Molecular Properties

Compound Name1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
PubChem CID130177879
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
SMILESCOc1cc2c(cc1-n1ccnc1)CCC(C)C2C(C)(C)C
InChIInChI=1S/C19H26N2O/c1-13-6-7-14-10-16(21-9-8-20-12-21)17(22-5)11-15(14)18(13)19(2,3)4/h8-13,18H,6-7H2,1-5H3
InChIKeyKZLUBKSKWGIETB-UHFFFAOYSA-N
XLogP4.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 1-(3-methoxy-2-naphthalenyl)-
CID 11413434
1-(6-Methoxynaphthalen-2-yl)-1H-imidazole
CID 11514098
3-Imidazol-1-yl-3-[4-[(6-methoxynaphthalen-2-yl)amino]phenyl]-2,2-dimethylpropan-1-ol
CID 44547335
3-[4-(2-Ethoxy-naphthalen-1-ylamino)-phenyl]-3-imidazol-1-yl-2,2-dimethyl-propionic acid methyl ester
CID 44547474
(4S,9E)-4-tert-butyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 46206875
(10E)-10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-phenyl-3,4,5,7,8,9-hexahydropyrido[2,1-c][1,2,4]oxadiazepine
CID 46214507
(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-naphthalen-1-yl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 58528729
(E)-N-(2-methoxyethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)prop-2-enamide
CID 71452989
1-[[3-(6-Methoxynaphthalen-2-yl)phenyl]methyl]imidazole
CID 44446315
1-[(6-Methoxynaphthalen-2-yl)methyl]imidazole
CID 85975897
1-(2-Methoxyphenyl)-4-[2-(1H-imidazol-1-yl)-2-(phenyl)ethyl]piperazine
CID 9907008
1-(3-Imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine
CID 15016119

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole?
The IUPAC name of 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole (CID 130177879) is 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole.
What is the SMILES notation for 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole?
The canonical SMILES for 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole is COc1cc2c(cc1-n1ccnc1)CCC(C)C2C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole?
The InChIKey is KZLUBKSKWGIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-6-7-14-10-16(21-9-8-20-12-21)17(22-5)11-15(14)18(13)19(2,3)4/h8-13,18H,6-7H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole?
1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole has a molecular weight of 298.43 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-3-methoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)imidazole is sourced from PubChem (CID 130177879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).