N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C14H14F3N3O2 — CID 138034694

IUPACN-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCC(O)c1ccc(CNC(=O)c2nc[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2/c1-8(21)10-4-2-9(3-5-10)6-18-13(22)11-12(14(15,16)17)20-7-19-11/h2-5,7-8,21H,6H2,1H3,(H,18,22)(H,19,20)
InChIKeyYFBKNSKBSBOBAE-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.41
Rot. Bonds4

About N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 138034694) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID138034694
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCC(O)c1ccc(CNC(=O)c2nc[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2/c1-8(21)10-4-2-9(3-5-10)6-18-13(22)11-12(14(15,16)17)20-7-19-11/h2-5,7-8,21H,6H2,1H3,(H,18,22)(H,19,20)
InChIKeyYFBKNSKBSBOBAE-UHFFFAOYSA-N
XLogP2.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 138034694) is N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is CC(O)c1ccc(CNC(=O)c2nc[nH]c2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is YFBKNSKBSBOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8(21)10-4-2-9(3-5-10)6-18-13(22)11-12(14(15,16)17)20-7-19-11/h2-5,7-8,21H,6H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138034694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).