N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C23H23F3N4O3 — CID 126689288

IUPACN-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CC[C@@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C23H23F3N4O3/c1-29-10-8-17(21(29)33)14-6-7-19-18(13-14)27-22(30(19)9-3-11-31)28-20(32)15-4-2-5-16(12-15)23(24,25)26/h2,4-7,12-13,17,31H,3,8-11H2,1H3,(H,27,28,32)/t17-/m0/s1
InChIKeyVOYCPVWFUNEBOM-KRWDZBQOSA-N
MW460.46 g/mol
LogP3.64
Rot. Bonds6

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

N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126689288) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126689288
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CC[C@@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C23H23F3N4O3/c1-29-10-8-17(21(29)33)14-6-7-19-18(13-14)27-22(30(19)9-3-11-31)28-20(32)15-4-2-5-16(12-15)23(24,25)26/h2,4-7,12-13,17,31H,3,8-11H2,1H3,(H,27,28,32)/t17-/m0/s1
InChIKeyVOYCPVWFUNEBOM-KRWDZBQOSA-N
XLogP3.64
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.64
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-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126689288) is N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CN1CC[C@@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.
What is the InChIKey of N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is VOYCPVWFUNEBOM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-29-10-8-17(21(29)33)14-6-7-19-18(13-14)27-22(30(19)9-3-11-31)28-20(32)15-4-2-5-16(12-15)23(24,25)26/h2,4-7,12-13,17,31H,3,8-11H2,1H3,(H,27,28,32)/t17-/m0/s1.
What are the key properties of N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 460.46 g/mol, XLogP of 3.64, 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-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126689288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).