N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide

C14H9F2N5O — CID 170774200

IUPACN-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C14H9F2N5O/c15-10-2-1-9(7-11(10)16)19-13(22)12-3-4-18-14(20-12)21-6-5-17-8-21/h1-8H,(H,19,22)
InChIKeyJWEXGCXPIZANEH-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.19
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide (PubChem CID 170774200) has the molecular formula C14H9F2N5O and a molecular weight of 301.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
PubChem CID170774200
Molecular FormulaC14H9F2N5O
Molecular Weight301.26 g/mol
Exact Mass301.08
IUPAC NameN-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C14H9F2N5O/c15-10-2-1-9(7-11(10)16)19-13(22)12-3-4-18-14(20-12)21-6-5-17-8-21/h1-8H,(H,19,22)
InChIKeyJWEXGCXPIZANEH-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-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-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide (CID 170774200) is N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccnc(-n2ccnc2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is JWEXGCXPIZANEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5O/c15-10-2-1-9(7-11(10)16)19-13(22)12-3-4-18-14(20-12)21-6-5-17-8-21/h1-8H,(H,19,22).
What are the key properties of N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 301.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 170774200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).