N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide

C15H12F3N3O2 — CID 53063111

IUPACN-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCn1c(C(F)(F)F)nc2ccccc21)c1ccco1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)14-20-10-4-1-2-5-11(10)21(14)8-7-19-13(22)12-6-3-9-23-12/h1-6,9H,7-8H2,(H,19,22)
InChIKeyRPNKZKCRVFZJTA-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.08
Rot. Bonds4

About N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide

N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide (PubChem CID 53063111) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
PubChem CID53063111
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCn1c(C(F)(F)F)nc2ccccc21)c1ccco1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)14-20-10-4-1-2-5-11(10)21(14)8-7-19-13(22)12-6-3-9-23-12/h1-6,9H,7-8H2,(H,19,22)
InChIKeyRPNKZKCRVFZJTA-UHFFFAOYSA-N
XLogP3.08
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
CID 53063129
1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 53063314
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31310447
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide
CID 91639260
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975472
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-[2-[[N-ethyl-N'-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111352047
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide (CID 53063111) is N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide is O=C(NCCn1c(C(F)(F)F)nc2ccccc21)c1ccco1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is RPNKZKCRVFZJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)14-20-10-4-1-2-5-11(10)21(14)8-7-19-13(22)12-6-3-9-23-12/h1-6,9H,7-8H2,(H,19,22).
What are the key properties of N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide?
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 323.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 53063111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).