1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide

C12H13N3O2 — CID 22628519

IUPAC1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(C(CO)c2ccccc2)cn1
InChIInChI=1S/C12H13N3O2/c13-12(17)10-6-15(8-14-10)11(7-16)9-4-2-1-3-5-9/h1-6,8,11,16H,7H2,(H2,13,17)
InChIKeyVZRIWPRGGIRLSD-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.56
Rot. Bonds4

About 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide

1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide (PubChem CID 22628519) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide
PubChem CID22628519
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(C(CO)c2ccccc2)cn1
InChIInChI=1S/C12H13N3O2/c13-12(17)10-6-15(8-14-10)11(7-16)9-4-2-1-3-5-9/h1-6,8,11,16H,7H2,(H2,13,17)
InChIKeyVZRIWPRGGIRLSD-UHFFFAOYSA-N
XLogP0.56
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide (CID 22628519) is 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide is NC(=O)c1cn(C(CO)c2ccccc2)cn1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide?
The InChIKey is VZRIWPRGGIRLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-12(17)10-6-15(8-14-10)11(7-16)9-4-2-1-3-5-9/h1-6,8,11,16H,7H2,(H2,13,17).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide?
1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 22628519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).