N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide

C20H14F3N3O3 — CID 59296731

IUPACN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H14F3N3O3/c1-28-14-8-9-16-15(11-14)25-19(20(21,22)23)26(16)13-6-4-12(5-7-13)24-18(27)17-3-2-10-29-17/h2-11H,1H3,(H,24,27)
InChIKeyPADGSVTYKJKTQF-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.90
Rot. Bonds4

About N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide

N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide (PubChem CID 59296731) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide
PubChem CID59296731
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC NameN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H14F3N3O3/c1-28-14-8-9-16-15(11-14)25-19(20(21,22)23)26(16)13-6-4-12(5-7-13)24-18(27)17-3-2-10-29-17/h2-11H,1H3,(H,24,27)
InChIKeyPADGSVTYKJKTQF-UHFFFAOYSA-N
XLogP4.90
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide (CID 59296731) is N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is PADGSVTYKJKTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c1-28-14-8-9-16-15(11-14)25-19(20(21,22)23)26(16)13-6-4-12(5-7-13)24-18(27)17-3-2-10-29-17/h2-11H,1H3,(H,24,27).
What are the key properties of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide?
N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 401.34 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 59296731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).