N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide

C21H21F3N4O — CID 47020380

IUPACN-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C21H21F3N4O/c22-21(23,24)20-25-16-9-8-15(12-17(16)26-20)19(14-6-2-1-3-7-14)27-18(29)13-28-10-4-5-11-28/h1-3,6-9,12,19H,4-5,10-11,13H2,(H,25,26)(H,27,29)
InChIKeyNPDRRZBYLKAIED-UHFFFAOYSA-N
MW402.42 g/mol
LogP3.88
Rot. Bonds5

About N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide

N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 47020380) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID47020380
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC NameN-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C21H21F3N4O/c22-21(23,24)20-25-16-9-8-15(12-17(16)26-20)19(14-6-2-1-3-7-14)27-18(29)13-28-10-4-5-11-28/h1-3,6-9,12,19H,4-5,10-11,13H2,(H,25,26)(H,27,29)
InChIKeyNPDRRZBYLKAIED-UHFFFAOYSA-N
XLogP3.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 74632950
N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 31036833
4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide
CID 119701514
3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
CID 18284494
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 33364380
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 33364374
2-(6-nitroindazol-1-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 154859795
2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 42936148
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 33364847
(3S)-1,1-dioxo-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]thiolane-3-carboxamide
CID 51930137
N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide
CID 25358436
5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide
CID 25388479

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide (CID 47020380) is N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is NPDRRZBYLKAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O/c22-21(23,24)20-25-16-9-8-15(12-17(16)26-20)19(14-6-2-1-3-7-14)27-18(29)13-28-10-4-5-11-28/h1-3,6-9,12,19H,4-5,10-11,13H2,(H,25,26)(H,27,29).
What are the key properties of N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide?
N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 402.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 47020380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).