N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C17H19F3N4O2 — CID 46978274

IUPACN-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)CC1=O
InChIInChI=1S/C17H19F3N4O2/c1-9(2)24-8-10(6-14(24)25)15(26)21-11-4-5-13-12(7-11)22-16(23(13)3)17(18,19)20/h4-5,7,9-10H,6,8H2,1-3H3,(H,21,26)
InChIKeyNBCLKZGTMNTMHN-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.79
Rot. Bonds3

About N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 46978274) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID46978274
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)CC1=O
InChIInChI=1S/C17H19F3N4O2/c1-9(2)24-8-10(6-14(24)25)15(26)21-11-4-5-13-12(7-11)22-16(23(13)3)17(18,19)20/h4-5,7,9-10H,6,8H2,1-3H3,(H,21,26)
InChIKeyNBCLKZGTMNTMHN-UHFFFAOYSA-N
XLogP2.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 40977144
2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
CID 46974394
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
CID 46974444
5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 86929823
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 75434314
(3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 92613260
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798
5-oxo-1-propan-2-yl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429829

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 46978274) is N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)CC1=O.
What is the InChIKey of N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NBCLKZGTMNTMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-9(2)24-8-10(6-14(24)25)15(26)21-11-4-5-13-12(7-11)22-16(23(13)3)17(18,19)20/h4-5,7,9-10H,6,8H2,1-3H3,(H,21,26).
What are the key properties of N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46978274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).