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

C19H12F4N4O2 — CID 58279089

IUPAC2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cccc3[nH]c(-c4cc(F)ccc4C(F)(F)F)nc23)no1
InChIInChI=1S/C19H12F4N4O2/c1-9-7-15(27-29-9)25-18(28)11-3-2-4-14-16(11)26-17(24-14)12-8-10(20)5-6-13(12)19(21,22)23/h2-8H,1H3,(H,24,26)(H,25,27,28)
InChIKeyZEYJUWORHTUGGP-UHFFFAOYSA-N
MW404.32 g/mol
LogP4.94
Rot. Bonds3

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

2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58279089) has the molecular formula C19H12F4N4O2 and a molecular weight of 404.32 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58279089
Molecular FormulaC19H12F4N4O2
Molecular Weight404.32 g/mol
Exact Mass404.09
IUPAC Name2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cccc3[nH]c(-c4cc(F)ccc4C(F)(F)F)nc23)no1
InChIInChI=1S/C19H12F4N4O2/c1-9-7-15(27-29-9)25-18(28)11-3-2-4-14-16(11)26-17(24-14)12-8-10(20)5-6-13(12)19(21,22)23/h2-8H,1H3,(H,24,26)(H,25,27,28)
InChIKeyZEYJUWORHTUGGP-UHFFFAOYSA-N
XLogP4.94
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(trifluoromethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide
CID 58279308
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279141
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(3-piperidin-4-yloxyphenyl)-1H-benzimidazole-4-carboxamide
CID 58278975
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 110701097
2-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278970
2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279370
N-(6-ethyl-2-pyridinyl)-2-[5-fluoro-2-(trifluoromethyl)phenyl]-1,3-benzoxazole-4-carboxamide
CID 143942300
N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 67203480
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279059
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279080

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide (CID 58279089) is 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide is Cc1cc(NC(=O)c2cccc3[nH]c(-c4cc(F)ccc4C(F)(F)F)nc23)no1.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is ZEYJUWORHTUGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O2/c1-9-7-15(27-29-9)25-18(28)11-3-2-4-14-16(11)26-17(24-14)12-8-10(20)5-6-13(12)19(21,22)23/h2-8H,1H3,(H,24,26)(H,25,27,28).
What are the key properties of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide?
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 404.32 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).