N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H25F3N4O3 — CID 126689287

IUPACN-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1
InChIInChI=1S/C24H25F3N4O3/c1-15(33)30-10-8-18(14-30)16-6-7-21-20(13-16)28-23(31(21)9-3-11-32)29-22(34)17-4-2-5-19(12-17)24(25,26)27/h2,4-7,12-13,18,32H,3,8-11,14H2,1H3,(H,28,29,34)
InChIKeyHBHZOLBVDVPSNC-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.03
Rot. Bonds6

About N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126689287) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126689287
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1
InChIInChI=1S/C24H25F3N4O3/c1-15(33)30-10-8-18(14-30)16-6-7-21-20(13-16)28-23(31(21)9-3-11-32)29-22(34)17-4-2-5-19(12-17)24(25,26)27/h2,4-7,12-13,18,32H,3,8-11,14H2,1H3,(H,28,29,34)
InChIKeyHBHZOLBVDVPSNC-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126689287) is N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1.
What is the InChIKey of N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is HBHZOLBVDVPSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-15(33)30-10-8-18(14-30)16-6-7-21-20(13-16)28-23(31(21)9-3-11-32)29-22(34)17-4-2-5-19(12-17)24(25,26)27/h2,4-7,12-13,18,32H,3,8-11,14H2,1H3,(H,28,29,34).
What are the key properties of N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126689287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).