(R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol

C18H20N2O — CID 763704

IUPAC(R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol
SMILESCC(C)c1ncc([C@H](O)c2cccc3ccccc23)n1C
InChIInChI=1S/C18H20N2O/c1-12(2)18-19-11-16(20(18)3)17(21)15-10-6-8-13-7-4-5-9-14(13)15/h4-12,17,21H,1-3H3/t17-/m1/s1
InChIKeyDZXMDRKTDSUFCX-QGZVFWFLSA-N
MW280.37 g/mol
LogP3.78
Rot. Bonds3

About (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol

(R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol (PubChem CID 763704) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol
PubChem CID763704
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol
SMILESCC(C)c1ncc([C@H](O)c2cccc3ccccc23)n1C
InChIInChI=1S/C18H20N2O/c1-12(2)18-19-11-16(20(18)3)17(21)15-10-6-8-13-7-4-5-9-14(13)15/h4-12,17,21H,1-3H3/t17-/m1/s1
InChIKeyDZXMDRKTDSUFCX-QGZVFWFLSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylbenzimidazol-2-yl)-naphthalen-1-ylmethanol
CID 2870493
(4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol
CID 121226334
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
butane;1-propan-2-ylnaphthalene
CID 157253186
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
CID 699896
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
1-methyl-5-phenyl-2-propan-2-ylimidazole
CID 83381613
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331

Frequently Asked Questions

What is the IUPAC name of (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol?
The IUPAC name of (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol (CID 763704) is (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol?
The canonical SMILES for (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol is CC(C)c1ncc([C@H](O)c2cccc3ccccc23)n1C.
What is the InChIKey of (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol?
The InChIKey is DZXMDRKTDSUFCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12(2)18-19-11-16(20(18)3)17(21)15-10-6-8-13-7-4-5-9-14(13)15/h4-12,17,21H,1-3H3/t17-/m1/s1.
What are the key properties of (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol?
(R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol has a molecular weight of 280.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 763704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).