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

C15H20F3N3O — CID 90640608

IUPAC(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCC(C(F)(F)F)CC1)CC2
InChIInChI=1S/C15H20F3N3O/c1-9-19-12-3-2-10(8-13(12)20-9)14(22)21-6-4-11(5-7-21)15(16,17)18/h10-11H,2-8H2,1H3,(H,19,20)
InChIKeyDCOFPAGWKGCJNH-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.62
Rot. Bonds1

About (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 90640608) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID90640608
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCC(C(F)(F)F)CC1)CC2
InChIInChI=1S/C15H20F3N3O/c1-9-19-12-3-2-10(8-13(12)20-9)14(22)21-6-4-11(5-7-21)15(16,17)18/h10-11H,2-8H2,1H3,(H,19,20)
InChIKeyDCOFPAGWKGCJNH-UHFFFAOYSA-N
XLogP2.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 90640608) is (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1nc2c([nH]1)CC(C(=O)N1CCC(C(F)(F)F)CC1)CC2.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is DCOFPAGWKGCJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-9-19-12-3-2-10(8-13(12)20-9)14(22)21-6-4-11(5-7-21)15(16,17)18/h10-11H,2-8H2,1H3,(H,19,20).
What are the key properties of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 315.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90640608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).