3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide

C17H13FN4O2 — CID 146507958

IUPAC3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide
SMILESN#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1ccccc1F
InChIInChI=1S/C17H13FN4O2/c18-12-4-2-1-3-11(12)14-10(9-19)5-6-13(23)15(14)16(24)22-17-20-7-8-21-17/h1-6,23H,7-8H2,(H2,20,21,22,24)
InChIKeyLVRHNVLHDNRHAC-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.76
Rot. Bonds2

About 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide (PubChem CID 146507958) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide
PubChem CID146507958
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide
SMILESN#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1ccccc1F
InChIInChI=1S/C17H13FN4O2/c18-12-4-2-1-3-11(12)14-10(9-19)5-6-13(23)15(14)16(24)22-17-20-7-8-21-17/h1-6,23H,7-8H2,(H2,20,21,22,24)
InChIKeyLVRHNVLHDNRHAC-UHFFFAOYSA-N
XLogP1.76
TPSA97.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide 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-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide (CID 146507958) is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide is N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1ccccc1F.
What is the InChIKey of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide?
The InChIKey is LVRHNVLHDNRHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-12-4-2-1-3-11(12)14-10(9-19)5-6-13(23)15(14)16(24)22-17-20-7-8-21-17/h1-6,23H,7-8H2,(H2,20,21,22,24).
What are the key properties of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide?
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide has a molecular weight of 324.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide is sourced from PubChem (CID 146507958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).