N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide

C19H12F4N4OS — CID 155598609

IUPACN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-c2cncs2)cc2[nH]cnc12
InChIInChI=1S/C19H12F4N4OS/c20-14-3-1-2-13(19(21,22)23)12(14)6-25-18(28)11-4-10(16-7-24-9-29-16)5-15-17(11)27-8-26-15/h1-5,7-9H,6H2,(H,25,28)(H,26,27)
InChIKeyIBNQICVXEJLDBS-UHFFFAOYSA-N
MW420.39 g/mol
LogP4.77
Rot. Bonds4

About N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide

N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 155598609) has the molecular formula C19H12F4N4OS and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide
PubChem CID155598609
Molecular FormulaC19H12F4N4OS
Molecular Weight420.39 g/mol
Exact Mass420.07
IUPAC NameN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-c2cncs2)cc2[nH]cnc12
InChIInChI=1S/C19H12F4N4OS/c20-14-3-1-2-13(19(21,22)23)12(14)6-25-18(28)11-4-10(16-7-24-9-29-16)5-15-17(11)27-8-26-15/h1-5,7-9H,6H2,(H,25,28)(H,26,27)
InChIKeyIBNQICVXEJLDBS-UHFFFAOYSA-N
XLogP4.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide (CID 155598609) is N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide is O=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-c2cncs2)cc2[nH]cnc12.
What is the InChIKey of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is IBNQICVXEJLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4OS/c20-14-3-1-2-13(19(21,22)23)12(14)6-25-18(28)11-4-10(16-7-24-9-29-16)5-15-17(11)27-8-26-15/h1-5,7-9H,6H2,(H,25,28)(H,26,27).
What are the key properties of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide?
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 155598609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).