N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H24F3N5O3 — CID 126688592

IUPACN-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N5O3/c25-24(26,27)16-3-1-2-15(12-16)22(34)30-23-29-19-13-18(31-10-11-35-14-21(31)33)4-5-20(19)32(23)17-6-8-28-9-7-17/h1-5,12-13,17,28H,6-11,14H2,(H,29,30,34)
InChIKeySOMDABZLVMBKHR-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.60
Rot. Bonds4

About N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688592) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688592
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC NameN-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N5O3/c25-24(26,27)16-3-1-2-15(12-16)22(34)30-23-29-19-13-18(31-10-11-35-14-21(31)33)4-5-20(19)32(23)17-6-8-28-9-7-17/h1-5,12-13,17,28H,6-11,14H2,(H,29,30,34)
InChIKeySOMDABZLVMBKHR-UHFFFAOYSA-N
XLogP3.60
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688592) is N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is SOMDABZLVMBKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c25-24(26,27)16-3-1-2-15(12-16)22(34)30-23-29-19-13-18(31-10-11-35-14-21(31)33)4-5-20(19)32(23)17-6-8-28-9-7-17/h1-5,12-13,17,28H,6-11,14H2,(H,29,30,34).
What are the key properties of N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 487.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).