1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide

C14H17N3O2 — CID 3009363

IUPAC1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(C(CO)CCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)
InChIKeyZUYUIKKHHBEVHL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.15
Rot. Bonds6

About 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide

1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide (PubChem CID 3009363) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide
PubChem CID3009363
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(C(CO)CCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)
InChIKeyZUYUIKKHHBEVHL-UHFFFAOYSA-N
XLogP1.15
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.15
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-phenylbutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide (CID 3009363) is 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide is NC(=O)c1cn(C(CO)CCc2ccccc2)cn1.
What is the InChIKey of 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide?
The InChIKey is ZUYUIKKHHBEVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19).
What are the key properties of 1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide?
1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.15, 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-phenylbutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 3009363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).