N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C24H23F3N4O3 — CID 42923282

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1nccn1C
InChIInChI=1S/C24H23F3N4O3/c1-30-11-10-28-22(30)21(18-8-3-4-9-19(18)34-2)29-23(33)15-12-20(32)31(14-15)17-7-5-6-16(13-17)24(25,26)27/h3-11,13,15,21H,12,14H2,1-2H3,(H,29,33)
InChIKeyROSSRHNQQKCVJF-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.71
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 42923282) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID42923282
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1nccn1C
InChIInChI=1S/C24H23F3N4O3/c1-30-11-10-28-22(30)21(18-8-3-4-9-19(18)34-2)29-23(33)15-12-20(32)31(14-15)17-7-5-6-16(13-17)24(25,26)27/h3-11,13,15,21H,12,14H2,1-2H3,(H,29,33)
InChIKeyROSSRHNQQKCVJF-UHFFFAOYSA-N
XLogP3.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55454203
1-(5-chloro-2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42923281
N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587285
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55660487
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 42923292
5-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 17456684
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55624142
1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55575397
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46588432
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556505

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 42923282) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is COc1ccccc1C(NC(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ROSSRHNQQKCVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-30-11-10-28-22(30)21(18-8-3-4-9-19(18)34-2)29-23(33)15-12-20(32)31(14-15)17-7-5-6-16(13-17)24(25,26)27/h3-11,13,15,21H,12,14H2,1-2H3,(H,29,33).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42923282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).