N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide

C20H14F3N3O2 — CID 25358436

IUPACN-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccco1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)19-24-14-9-8-13(11-15(14)25-19)17(12-5-2-1-3-6-12)26-18(27)16-7-4-10-28-16/h1-11,17H,(H,24,25)(H,26,27)/t17-/m0/s1
InChIKeyASPIUVPWBJPFDY-KRWDZBQOSA-N
MW385.35 g/mol
LogP4.69
Rot. Bonds4

About N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide

N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 25358436) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide
PubChem CID25358436
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC NameN-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccco1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)19-24-14-9-8-13(11-15(14)25-19)17(12-5-2-1-3-6-12)26-18(27)16-7-4-10-28-16/h1-11,17H,(H,24,25)(H,26,27)/t17-/m0/s1
InChIKeyASPIUVPWBJPFDY-KRWDZBQOSA-N
XLogP4.69
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
CID 18284494
5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide
CID 25388479
N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 55909495
N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 47020380
4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide
CID 119701514
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide
CID 55518967
2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
CID 55520524
(3S)-1,1-dioxo-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]thiolane-3-carboxamide
CID 51930137
N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 31036833
7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 154859796
2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 42936148

Frequently Asked Questions

What is the IUPAC name of N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide (CID 25358436) is N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide is O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccco1.
What is the InChIKey of N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is ASPIUVPWBJPFDY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-20(22,23)19-24-14-9-8-13(11-15(14)25-19)17(12-5-2-1-3-6-12)26-18(27)16-7-4-10-28-16/h1-11,17H,(H,24,25)(H,26,27)/t17-/m0/s1.
What are the key properties of N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide?
N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 25358436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).