1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide

C18H19N3O2 — CID 21145345

IUPAC1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(C(CO)CCc2cccc3ccccc23)cn1
InChIInChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)
InChIKeyURGFTPMACWKJKU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.30
Rot. Bonds6

About 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide

1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide (PubChem CID 21145345) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide
PubChem CID21145345
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(C(CO)CCc2cccc3ccccc23)cn1
InChIInChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)
InChIKeyURGFTPMACWKJKU-UHFFFAOYSA-N
XLogP2.30
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide (CID 21145345) is 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide is NC(=O)c1cn(C(CO)CCc2cccc3ccccc23)cn1.
What is the InChIKey of 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide?
The InChIKey is URGFTPMACWKJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23).
What are the key properties of 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide?
1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-naphthalen-1-ylbutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 21145345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).