N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide

C15H19N3O2 — CID 43573803

IUPACN-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-12(2)17(8-9-19)15(20)14-10-16-11-18(14)13-6-4-3-5-7-13/h3-7,10-12,19H,8-9H2,1-2H3
InChIKeyUGDFOSSDVNXKAJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.72
Rot. Bonds5

About N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide

N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide (PubChem CID 43573803) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide
PubChem CID43573803
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-12(2)17(8-9-19)15(20)14-10-16-11-18(14)13-6-4-3-5-7-13/h3-7,10-12,19H,8-9H2,1-2H3
InChIKeyUGDFOSSDVNXKAJ-UHFFFAOYSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide
CID 107483116
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 9462410
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 18118141
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43639218

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide (CID 43573803) is N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide is CC(C)N(CCO)C(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide?
The InChIKey is UGDFOSSDVNXKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(2)17(8-9-19)15(20)14-10-16-11-18(14)13-6-4-3-5-7-13/h3-7,10-12,19H,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide?
N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 43573803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).