1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone

C19H20N2O2 — CID 22018410

IUPAC1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C19H20N2O2/c1-12(2)19(23,18-10-20-11-21-18)17-7-6-15-8-14(13(3)22)4-5-16(15)9-17/h4-12,23H,1-3H3,(H,20,21)
InChIKeyHVVULDASPWETLY-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.66
Rot. Bonds4

About 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone

1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone (PubChem CID 22018410) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone
PubChem CID22018410
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C19H20N2O2/c1-12(2)19(23,18-10-20-11-21-18)17-7-6-15-8-14(13(3)22)4-5-16(15)9-17/h4-12,23H,1-3H3,(H,20,21)
InChIKeyHVVULDASPWETLY-UHFFFAOYSA-N
XLogP3.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone (CID 22018410) is 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone is CC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1.
What is the InChIKey of 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone?
The InChIKey is HVVULDASPWETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)19(23,18-10-20-11-21-18)17-7-6-15-8-14(13(3)22)4-5-16(15)9-17/h4-12,23H,1-3H3,(H,20,21).
What are the key properties of 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone?
1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]ethanone is sourced from PubChem (CID 22018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).