(3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide

C14H14F3N3O2 — CID 124589847

IUPAC(3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide
SMILESO=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)[C@H]1CCCOC1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)9-3-4-10-11(6-9)19-13(18-10)20-12(21)8-2-1-5-22-7-8/h3-4,6,8H,1-2,5,7H2,(H2,18,19,20,21)/t8-/m0/s1
InChIKeyZOKZBZCPEYMRQM-QMMMGPOBSA-N
MW313.28 g/mol
LogP2.95
Rot. Bonds2

About (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide

(3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide (PubChem CID 124589847) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide
PubChem CID124589847
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name(3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide
SMILESO=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)[C@H]1CCCOC1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)9-3-4-10-11(6-9)19-13(18-10)20-12(21)8-2-1-5-22-7-8/h3-4,6,8H,1-2,5,7H2,(H2,18,19,20,21)/t8-/m0/s1
InChIKeyZOKZBZCPEYMRQM-QMMMGPOBSA-N
XLogP2.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
1-[(3R)-oxolan-3-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]triazole-4-carboxamide
CID 124731016
3-hydroxy-3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butanamide
CID 139518431
N-[2-carbamothioyl-4-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 115911377
3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide
CID 122136688
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide
CID 72720604
N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide
CID 138013636
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
cyclopropyl-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137017
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
CID 63010280
N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide
CID 87050807

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide (CID 124589847) is (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide is O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide?
The InChIKey is ZOKZBZCPEYMRQM-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)9-3-4-10-11(6-9)19-13(18-10)20-12(21)8-2-1-5-22-7-8/h3-4,6,8H,1-2,5,7H2,(H2,18,19,20,21)/t8-/m0/s1.
What are the key properties of (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide?
(3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide is sourced from PubChem (CID 124589847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).