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

Analyze N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 103510202
N,N-bis(2-chloroethyl)-3-methylimidazole-4-carboxamide
CID 103511157
2-[methyl-(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 103510505
2-methyl-3-[methyl-(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510498
N,N-dimethyl-4-[1-(3-methylimidazol-4-yl)ethenyl]aniline
CID 129131695
lithium;butane;N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide;2-iodo-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide;molecular iodine
CID 158717617
2-(3-methylimidazol-4-yl)-2-oxoacetic acid
CID 82416720
N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 28788947
4-bromo-N-(4-hydroxyphenyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43640162
N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide
CID 103511391
N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103510269

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).