3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide

C14H15FN4O2 — CID 18360168

IUPAC3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
SMILESCCC(=O)Nc1ncn(Cc2ccccc2F)c1C(N)=O
InChIInChI=1S/C14H15FN4O2/c1-2-11(20)18-14-12(13(16)21)19(8-17-14)7-9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H2,16,21)(H,18,20)
InChIKeyOCDMQTVLGYRDBM-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.52
Rot. Bonds5

About 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide

3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide (PubChem CID 18360168) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
PubChem CID18360168
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
SMILESCCC(=O)Nc1ncn(Cc2ccccc2F)c1C(N)=O
InChIInChI=1S/C14H15FN4O2/c1-2-11(20)18-14-12(13(16)21)19(8-17-14)7-9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H2,16,21)(H,18,20)
InChIKeyOCDMQTVLGYRDBM-UHFFFAOYSA-N
XLogP1.52
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)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 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide (CID 18360168) is 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide is CCC(=O)Nc1ncn(Cc2ccccc2F)c1C(N)=O.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide?
The InChIKey is OCDMQTVLGYRDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-2-11(20)18-14-12(13(16)21)19(8-17-14)7-9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H2,16,21)(H,18,20).
What are the key properties of 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide?
3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide is sourced from PubChem (CID 18360168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).