N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide

C15H10F3N3O — CID 54189949

IUPACN-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide
SMILESO=CNc1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-4-5-14-13(6-10)19-8-21(14)12-3-1-2-11(7-12)20-9-22/h1-9H,(H,20,22)
InChIKeyPHUUHRSHCFMFTR-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.61
Rot. Bonds3

About N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide

N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide (PubChem CID 54189949) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide
PubChem CID54189949
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC NameN-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide
SMILESO=CNc1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)10-4-5-14-13(6-10)19-8-21(14)12-3-1-2-11(7-12)20-9-22/h1-9H,(H,20,22)
InChIKeyPHUUHRSHCFMFTR-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide?
The IUPAC name of N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide (CID 54189949) is N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide.
What is the SMILES notation for N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide?
The canonical SMILES for N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide is O=CNc1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide?
The InChIKey is PHUUHRSHCFMFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)10-4-5-14-13(6-10)19-8-21(14)12-3-1-2-11(7-12)20-9-22/h1-9H,(H,20,22).
What are the key properties of N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide?
N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide has a molecular weight of 305.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide is sourced from PubChem (CID 54189949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).