N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C15H9F4N5O — CID 170774216

IUPACN-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C15H9F4N5O/c16-9-2-1-3-10(6-9)21-13(25)11-7-12(15(17,18)19)23-14(22-11)24-5-4-20-8-24/h1-8H,(H,21,25)
InChIKeyRPMURXCKVNGXKQ-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.07
Rot. Bonds3

About N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 170774216) has the molecular formula C15H9F4N5O and a molecular weight of 351.26 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID170774216
Molecular FormulaC15H9F4N5O
Molecular Weight351.26 g/mol
Exact Mass351.07
IUPAC NameN-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C15H9F4N5O/c16-9-2-1-3-10(6-9)21-13(25)11-7-12(15(17,18)19)23-14(22-11)24-5-4-20-8-24/h1-8H,(H,21,25)
InChIKeyRPMURXCKVNGXKQ-UHFFFAOYSA-N
XLogP3.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.07
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-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 170774216) is N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is RPMURXCKVNGXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N5O/c16-9-2-1-3-10(6-9)21-13(25)11-7-12(15(17,18)19)23-14(22-11)24-5-4-20-8-24/h1-8H,(H,21,25).
What are the key properties of N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 351.26 g/mol, XLogP of 3.07, 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-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170774216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).