N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide

C14H10FN5O — CID 170774157

IUPACN-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C14H10FN5O/c15-10-2-1-3-11(8-10)18-13(21)12-4-5-17-14(19-12)20-7-6-16-9-20/h1-9H,(H,18,21)
InChIKeyIZZUUYBXUIUQLR-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.05
Rot. Bonds3

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

N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide (PubChem CID 170774157) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
PubChem CID170774157
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC NameN-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C14H10FN5O/c15-10-2-1-3-11(8-10)18-13(21)12-4-5-17-14(19-12)20-7-6-16-9-20/h1-9H,(H,18,21)
InChIKeyIZZUUYBXUIUQLR-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide (CID 170774157) is N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1ccnc(-n2ccnc2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is IZZUUYBXUIUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-10-2-1-3-11(8-10)18-13(21)12-4-5-17-14(19-12)20-7-6-16-9-20/h1-9H,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 283.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 170774157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).