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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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).