N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide

C22H23F3N4O2S — CID 45240138

IUPACN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
SMILESCn1c(CNC(=O)CCC2(Cc3cccs3)CCC(=O)N2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H23F3N4O2S/c1-29-17-5-4-14(22(23,24)25)11-16(17)27-18(29)13-26-19(30)6-8-21(9-7-20(31)28-21)12-15-3-2-10-32-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,26,30)(H,28,31)
InChIKeySMKMVVCNCYXPKF-UHFFFAOYSA-N
MW464.51 g/mol
LogP3.94
Rot. Bonds7

About N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide (PubChem CID 45240138) has the molecular formula C22H23F3N4O2S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
PubChem CID45240138
Molecular FormulaC22H23F3N4O2S
Molecular Weight464.51 g/mol
Exact Mass464.15
IUPAC NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
SMILESCn1c(CNC(=O)CCC2(Cc3cccs3)CCC(=O)N2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H23F3N4O2S/c1-29-17-5-4-14(22(23,24)25)11-16(17)27-18(29)13-26-19(30)6-8-21(9-7-20(31)28-21)12-15-3-2-10-32-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,26,30)(H,28,31)
InChIKeySMKMVVCNCYXPKF-UHFFFAOYSA-N
XLogP3.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Prn-694
CID 90044055
1,3-dimethyl-5-[4-phenyl-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581429
5-[4-(2-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581649
5-[4-(3-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581659
5-[4-(4-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581670
5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277578
5-(difluoromethyl)-N-[5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277748
5-(1,1-difluoroethyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277780
1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 20883057
1,3-dimethyl-5-[2-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581403
potassium (3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoate
CID 155529276
N-[4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-2-(2-thienyl)acetamide
CID 839597

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide (CID 45240138) is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide is Cn1c(CNC(=O)CCC2(Cc3cccs3)CCC(=O)N2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The InChIKey is SMKMVVCNCYXPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2S/c1-29-17-5-4-14(22(23,24)25)11-16(17)27-18(29)13-26-19(30)6-8-21(9-7-20(31)28-21)12-15-3-2-10-32-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,26,30)(H,28,31).
What are the key properties of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide has a molecular weight of 464.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45240138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).