N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

C13H9F3N4O2 — CID 71689923

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)no1
InChIInChI=1S/C13H9F3N4O2/c1-6-4-10(20-22-6)19-11(21)7-2-3-8-9(5-7)18-12(17-8)13(14,15)16/h2-5H,1H3,(H,17,18)(H,19,20,21)
InChIKeyDKPOMBDMVSPDGN-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.13
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 71689923) has the molecular formula C13H9F3N4O2 and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
PubChem CID71689923
Molecular FormulaC13H9F3N4O2
Molecular Weight310.24 g/mol
Exact Mass310.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)no1
InChIInChI=1S/C13H9F3N4O2/c1-6-4-10(20-22-6)19-11(21)7-2-3-8-9(5-7)18-12(17-8)13(14,15)16/h2-5H,1H3,(H,17,18)(H,19,20,21)
InChIKeyDKPOMBDMVSPDGN-UHFFFAOYSA-N
XLogP3.13
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 110765610
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
3-[2-fluoro-4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76913960
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772690
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (CID 71689923) is N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is Cc1cc(NC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is DKPOMBDMVSPDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O2/c1-6-4-10(20-22-6)19-11(21)7-2-3-8-9(5-7)18-12(17-8)13(14,15)16/h2-5H,1H3,(H,17,18)(H,19,20,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 310.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71689923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).