1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol

C18H20N2O — CID 105112307

IUPAC1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
SMILESCCn1ccnc1CC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O/c1-2-20-10-9-19-18(20)13-17(21)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-11,17,21H,2,12-13H2,1H3
InChIKeyPZOOMHLRGSBBRK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.20
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol

1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol (PubChem CID 105112307) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
PubChem CID105112307
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
SMILESCCn1ccnc1CC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O/c1-2-20-10-9-19-18(20)13-17(21)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-11,17,21H,2,12-13H2,1H3
InChIKeyPZOOMHLRGSBBRK-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096
1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79752865
1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819253
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
CID 115819308
1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79752637
1-[1-(2-hydroxy-3-naphthalen-2-ylpropyl)imidazol-2-yl]cyclobutan-1-ol
CID 167882740
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79762429
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819265
1-(3,5-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751311

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol (CID 105112307) is 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol is CCn1ccnc1CC(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol?
The InChIKey is PZOOMHLRGSBBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-20-10-9-19-18(20)13-17(21)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-11,17,21H,2,12-13H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol?
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 105112307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).