N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C17H13F3N3OP — CID 142342388

IUPACN-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2cc(P)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H13F3N3OP/c18-17(19,20)11-6-13(8-14(25)7-11)23-9-15(21-10-23)16(24)22-12-4-2-1-3-5-12/h1-10H,25H2,(H,22,24)
InChIKeyQVRRLCHKSKXYJQ-UHFFFAOYSA-N
MW363.28 g/mol
LogP3.64
Rot. Bonds3

About N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide

N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 142342388) has the molecular formula C17H13F3N3OP and a molecular weight of 363.28 g/mol. Its IUPAC name is N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID142342388
Molecular FormulaC17H13F3N3OP
Molecular Weight363.28 g/mol
Exact Mass363.07
IUPAC NameN-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2cc(P)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H13F3N3OP/c18-17(19,20)11-6-13(8-14(25)7-11)23-9-15(21-10-23)16(24)22-12-4-2-1-3-5-12/h1-10H,25H2,(H,22,24)
InChIKeyQVRRLCHKSKXYJQ-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 142342388) is N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is O=C(Nc1ccccc1)c1cn(-c2cc(P)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is QVRRLCHKSKXYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N3OP/c18-17(19,20)11-6-13(8-14(25)7-11)23-9-15(21-10-23)16(24)22-12-4-2-1-3-5-12/h1-10H,25H2,(H,22,24).
What are the key properties of N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 363.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 142342388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).