N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide

C12H13N3O2 — CID 103511122

IUPACN-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cncn1C)c1ccc(O)cc1
InChIInChI=1S/C12H13N3O2/c1-14-8-13-7-11(14)12(17)15(2)9-3-5-10(16)6-4-9/h3-8,16H,1-2H3
InChIKeyWCTRHXGSVSOTBY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.40
Rot. Bonds2

About N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide

N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide (PubChem CID 103511122) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide
PubChem CID103511122
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cncn1C)c1ccc(O)cc1
InChIInChI=1S/C12H13N3O2/c1-14-8-13-7-11(14)12(17)15(2)9-3-5-10(16)6-4-9/h3-8,16H,1-2H3
InChIKeyWCTRHXGSVSOTBY-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide (CID 103511122) is N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide is CN(C(=O)c1cncn1C)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide?
The InChIKey is WCTRHXGSVSOTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-8-13-7-11(14)12(17)15(2)9-3-5-10(16)6-4-9/h3-8,16H,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide?
N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 103511122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).