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

C22H21F3N4O3 — CID 156570667

IUPACN-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C22H21F3N4O3/c1-2-8-29-18-7-6-16(28-9-10-32-13-19(28)30)12-17(18)26-21(29)27-20(31)14-4-3-5-15(11-14)22(23,24)25/h3-7,11-12H,2,8-10,13H2,1H3,(H,26,27,31)
InChIKeyVELGHPVXMFIBPQ-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.08
Rot. Bonds5

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

N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 156570667) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID156570667
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC NameN-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C22H21F3N4O3/c1-2-8-29-18-7-6-16(28-9-10-32-13-19(28)30)12-17(18)26-21(29)27-20(31)14-4-3-5-15(11-14)22(23,24)25/h3-7,11-12H,2,8-10,13H2,1H3,(H,26,27,31)
InChIKeyVELGHPVXMFIBPQ-UHFFFAOYSA-N
XLogP4.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688503
N-[6-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688291
N-[6-cyano-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688485
N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylaminosulfanyl)benzamide
CID 156570642
N-[5-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688464
N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide
CID 126688463
N-[5-(6-cyclopropyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 140899980
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 159708026
3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;2-fluoro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1,2,4-triazol-4-yl)benzamide
CID 160836506
N-[1-cyclohexyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide
CID 126720068
N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-benzothiophene-2-carboxamide
CID 126705515
N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689252

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 156570667) is N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CCCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.
What is the InChIKey of N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is VELGHPVXMFIBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c1-2-8-29-18-7-6-16(28-9-10-32-13-19(28)30)12-17(18)26-21(29)27-20(31)14-4-3-5-15(11-14)22(23,24)25/h3-7,11-12H,2,8-10,13H2,1H3,(H,26,27,31).
What are the key properties of N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 446.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 156570667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).