2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

C20H25F3N4O2 — CID 649306

IUPAC2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H25F3N4O2/c1-14-24-17-12-15(20(21,22)23)2-3-18(17)27(14)16-4-6-25(7-5-16)13-19(28)26-8-10-29-11-9-26/h2-3,12,16H,4-11,13H2,1H3
InChIKeyLRJLMHSVRDCYNC-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.86
Rot. Bonds3

About 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 649306) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID649306
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H25F3N4O2/c1-14-24-17-12-15(20(21,22)23)2-3-18(17)27(14)16-4-6-25(7-5-16)13-19(28)26-8-10-29-11-9-26/h2-3,12,16H,4-11,13H2,1H3
InChIKeyLRJLMHSVRDCYNC-UHFFFAOYSA-N
XLogP2.86
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 649306) is 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is LRJLMHSVRDCYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-14-24-17-12-15(20(21,22)23)2-3-18(17)27(14)16-4-6-25(7-5-16)13-19(28)26-8-10-29-11-9-26/h2-3,12,16H,4-11,13H2,1H3.
What are the key properties of 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 410.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 649306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).