4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone

C14H18F3N3O — CID 91628368

IUPAC4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2nc[nH]c2C1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)10-3-5-20(6-4-10)13(21)9-1-2-11-12(7-9)19-8-18-11/h8-10H,1-7H2,(H,18,19)
InChIKeyTYRKBNAEZSPJTA-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.32
Rot. Bonds1

About 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone

4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 91628368) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID91628368
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2nc[nH]c2C1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)10-3-5-20(6-4-10)13(21)9-1-2-11-12(7-9)19-8-18-11/h8-10H,1-7H2,(H,18,19)
InChIKeyTYRKBNAEZSPJTA-UHFFFAOYSA-N
XLogP2.32
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 91628368) is 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1CCc2nc[nH]c2C1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is TYRKBNAEZSPJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)10-3-5-20(6-4-10)13(21)9-1-2-11-12(7-9)19-8-18-11/h8-10H,1-7H2,(H,18,19).
What are the key properties of 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone?
4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 301.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 91628368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).