5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide

C26H21F3N4O3 — CID 118061159

IUPAC5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(=O)N1Cc1nc2ccccc2n1-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H21F3N4O3/c27-26(28,29)16-5-9-18(10-6-16)36-19-11-7-17(8-12-19)33-21-4-2-1-3-20(21)31-23(33)15-32-22(25(30)35)13-14-24(32)34/h1-12,22H,13-15H2,(H2,30,35)
InChIKeySXHKBZZKQZDQTO-UHFFFAOYSA-N
MW494.47 g/mol
LogP4.81
Rot. Bonds6

About 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide

5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 118061159) has the molecular formula C26H21F3N4O3 and a molecular weight of 494.47 g/mol. Its IUPAC name is 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID118061159
Molecular FormulaC26H21F3N4O3
Molecular Weight494.47 g/mol
Exact Mass494.16
IUPAC Name5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(=O)N1Cc1nc2ccccc2n1-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H21F3N4O3/c27-26(28,29)16-5-9-18(10-6-16)36-19-11-7-17(8-12-19)33-21-4-2-1-3-20(21)31-23(33)15-32-22(25(30)35)13-14-24(32)34/h1-12,22H,13-15H2,(H2,30,35)
InChIKeySXHKBZZKQZDQTO-UHFFFAOYSA-N
XLogP4.81
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide
CID 159629636
1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119908334
2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide
CID 118061663
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069
tert-butyl N-[1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]carbamate
CID 60512394
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 66683745
N-hydroxy-2-(1-phenylbenzimidazol-2-yl)acetamide
CID 3049623
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole
CID 90178083
(2S)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 54336988

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide (CID 118061159) is 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCC(=O)N1Cc1nc2ccccc2n1-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SXHKBZZKQZDQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O3/c27-26(28,29)16-5-9-18(10-6-16)36-19-11-7-17(8-12-19)33-21-4-2-1-3-20(21)31-23(33)15-32-22(25(30)35)13-14-24(32)34/h1-12,22H,13-15H2,(H2,30,35).
What are the key properties of 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 494.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118061159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).