N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C25H27F3N4O3 — CID 126689275

IUPACN-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C(C)(C)C1=O
InChIInChI=1S/C25H27F3N4O3/c1-24(2)18(14-31(3)22(24)35)15-8-9-20-19(13-15)29-23(32(20)10-5-11-33)30-21(34)16-6-4-7-17(12-16)25(26,27)28/h4,6-9,12-13,18,33H,5,10-11,14H2,1-3H3,(H,29,30,34)
InChIKeyONYMFVDIDOXPCT-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.27
Rot. Bonds6

About N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126689275) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126689275
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC NameN-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C(C)(C)C1=O
InChIInChI=1S/C25H27F3N4O3/c1-24(2)18(14-31(3)22(24)35)15-8-9-20-19(13-15)29-23(32(20)10-5-11-33)30-21(34)16-6-4-7-17(12-16)25(26,27)28/h4,6-9,12-13,18,33H,5,10-11,14H2,1-3H3,(H,29,30,34)
InChIKeyONYMFVDIDOXPCT-UHFFFAOYSA-N
XLogP4.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126689275) is N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C(C)(C)C1=O.
What is the InChIKey of N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ONYMFVDIDOXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-24(2)18(14-31(3)22(24)35)15-8-9-20-19(13-15)29-23(32(20)10-5-11-33)30-21(34)16-6-4-7-17(12-16)25(26,27)28/h4,6-9,12-13,18,33H,5,10-11,14H2,1-3H3,(H,29,30,34).
What are the key properties of N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 488.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126689275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).