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

C23H23F3N4O3 — CID 145277966

IUPACN-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC1(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)CCNC1=O
InChIInChI=1S/C23H23F3N4O3/c1-22(8-9-27-20(22)33)15-6-7-18-17(13-15)28-21(30(18)10-3-11-31)29-19(32)14-4-2-5-16(12-14)23(24,25)26/h2,4-7,12-13,31H,3,8-11H2,1H3,(H,27,33)(H,28,29,32)
InChIKeyABINUTLIYSQEEG-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.47
Rot. Bonds6

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

N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 145277966) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID145277966
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC1(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)CCNC1=O
InChIInChI=1S/C23H23F3N4O3/c1-22(8-9-27-20(22)33)15-6-7-18-17(13-15)28-21(30(18)10-3-11-31)29-19(32)14-4-2-5-16(12-14)23(24,25)26/h2,4-7,12-13,31H,3,8-11H2,1H3,(H,27,33)(H,28,29,32)
InChIKeyABINUTLIYSQEEG-UHFFFAOYSA-N
XLogP3.47
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688464
N-[5-[2-(dimethylamino)-5-oxopentan-2-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126718873
N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689252
N-[5-(6-cyclopropyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 140899980
N-[6-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688291
N-[6-cyano-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688485
N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 156570667
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]benzamide
CID 126688276
N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(1-methyl-2-oxopiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689334
N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689245
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
CID 90719945
N-[1-[(3S)-3,4-dihydroxybutyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689311

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 145277966) is N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC1(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)CCNC1=O.
What is the InChIKey of N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ABINUTLIYSQEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-22(8-9-27-20(22)33)15-6-7-18-17(13-15)28-21(30(18)10-3-11-31)29-19(32)14-4-2-5-16(12-14)23(24,25)26/h2,4-7,12-13,31H,3,8-11H2,1H3,(H,27,33)(H,28,29,32).
What are the key properties of N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 460.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 145277966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).