N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C18H15FN4O2 — CID 47007581

IUPACN-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O2/c19-14-5-7-15(8-6-14)23-11-21-10-16(23)18(25)22-9-12-1-3-13(4-2-12)17(20)24/h1-8,10-11H,9H2,(H2,20,24)(H,22,25)
InChIKeyFSNUOVSBNWYYPN-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.04
Rot. Bonds5

About N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 47007581) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID47007581
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O2/c19-14-5-7-15(8-6-14)23-11-21-10-16(23)18(25)22-9-12-1-3-13(4-2-12)17(20)24/h1-8,10-11H,9H2,(H2,20,24)(H,22,25)
InChIKeyFSNUOVSBNWYYPN-UHFFFAOYSA-N
XLogP2.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-carbamoylphenyl)methyl]-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-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 47007581) is N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is NC(=O)c1ccc(CNC(=O)c2cncn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is FSNUOVSBNWYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-5-7-15(8-6-14)23-11-21-10-16(23)18(25)22-9-12-1-3-13(4-2-12)17(20)24/h1-8,10-11H,9H2,(H2,20,24)(H,22,25).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 47007581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).