N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide

C19H17ClFN3O — CID 112817413

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H17ClFN3O/c1-2-23(12-14-5-3-4-6-17(14)20)19(25)18-11-22-13-24(18)16-9-7-15(21)8-10-16/h3-11,13H,2,12H2,1H3
InChIKeyVKHJXYQOJYHHHG-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.33
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 112817413) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID112817413
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H17ClFN3O/c1-2-23(12-14-5-3-4-6-17(14)20)19(25)18-11-22-13-24(18)16-9-7-15(21)8-10-16/h3-11,13H,2,12H2,1H3
InChIKeyVKHJXYQOJYHHHG-UHFFFAOYSA-N
XLogP4.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)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-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 112817413) is N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide is CCN(Cc1ccccc1Cl)C(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is VKHJXYQOJYHHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-2-23(12-14-5-3-4-6-17(14)20)19(25)18-11-22-13-24(18)16-9-7-15(21)8-10-16/h3-11,13H,2,12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 357.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 112817413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).