6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide

C20H23N3O2 — CID 18769059

IUPAC6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2cc1C
InChIInChI=1S/C20H23N3O2/c1-12(2)20(25,18-10-22-11-23-18)16-6-5-14-9-17(19(24)21-4)13(3)7-15(14)8-16/h5-12,25H,1-4H3,(H,21,24)(H,22,23)
InChIKeyOQFYRLCZKWVBHL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.12
Rot. Bonds4

About 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide

6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide (PubChem CID 18769059) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide
PubChem CID18769059
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2cc1C
InChIInChI=1S/C20H23N3O2/c1-12(2)20(25,18-10-22-11-23-18)16-6-5-14-9-17(19(24)21-4)13(3)7-15(14)8-16/h5-12,25H,1-4H3,(H,21,24)(H,22,23)
InChIKeyOQFYRLCZKWVBHL-UHFFFAOYSA-N
XLogP3.12
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide?
The IUPAC name of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide (CID 18769059) is 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide?
The canonical SMILES for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide is CNC(=O)c1cc2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2cc1C.
What is the InChIKey of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide?
The InChIKey is OQFYRLCZKWVBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12(2)20(25,18-10-22-11-23-18)16-6-5-14-9-17(19(24)21-4)13(3)7-15(14)8-16/h5-12,25H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide?
6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N,3-dimethylnaphthalene-2-carboxamide is sourced from PubChem (CID 18769059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).