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

C24H25F3N4O3 — CID 126689263

IUPACN-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CC[C@](C)(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C24H25F3N4O3/c1-23(9-11-30(2)21(23)34)16-7-8-19-18(14-16)28-22(31(19)10-4-12-32)29-20(33)15-5-3-6-17(13-15)24(25,26)27/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33)/t23-/m1/s1
InChIKeyFQNNLYZZVASUAJ-HSZRJFAPSA-N
MW474.48 g/mol
LogP3.81
Rot. Bonds6

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

N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126689263) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126689263
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CC[C@](C)(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C24H25F3N4O3/c1-23(9-11-30(2)21(23)34)16-7-8-19-18(14-16)28-22(31(19)10-4-12-32)29-20(33)15-5-3-6-17(13-15)24(25,26)27/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33)/t23-/m1/s1
InChIKeyFQNNLYZZVASUAJ-HSZRJFAPSA-N
XLogP3.81
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126689263) is N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CN1CC[C@](C)(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.
What is the InChIKey of N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is FQNNLYZZVASUAJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-23(9-11-30(2)21(23)34)16-7-8-19-18(14-16)28-22(31(19)10-4-12-32)29-20(33)15-5-3-6-17(13-15)24(25,26)27/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33)/t23-/m1/s1.
What are the key properties of N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1,3-dimethyl-2-oxopyrrolidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126689263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).