N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

C25H22F3N3O3 — CID 134127039

IUPACN-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-4-5-17(13-19)15-31-22-10-9-18(24(33)29-11-12-32)14-21(22)30-23(31)16-34-20-7-2-1-3-8-20/h1-10,13-14,32H,11-12,15-16H2,(H,29,33)
InChIKeyMHTNVFHFDQDYGI-UHFFFAOYSA-N
MW469.46 g/mol
LogP4.40
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 134127039) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID134127039
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC NameN-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-4-5-17(13-19)15-31-22-10-9-18(24(33)29-11-12-32)14-21(22)30-23(31)16-34-20-7-2-1-3-8-20/h1-10,13-14,32H,11-12,15-16H2,(H,29,33)
InChIKeyMHTNVFHFDQDYGI-UHFFFAOYSA-N
XLogP4.40
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
CID 134127046
1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
CID 134127033
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 134127025
1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134126984
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 35805286
3-[[2-(3-methoxy-4-phenylmethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carbonyl]amino]propanoic acid
CID 59114873
1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
CID 4848547
3-[[2-[(2E,4E)-4-(trifluoromethoxy)hexa-2,4-dien-2-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carbonyl]amino]propanoic acid
CID 152802342
3-[[1-[(3,4-dichlorophenyl)methyl]-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]benzimidazole-5-carbonyl]amino]propanoic acid
CID 59114892
N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide
CID 134127066
1-(2-amino-2-oxoethyl)-2-(3-phenylmethoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide;2-propylguanidine
CID 143663371
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (CID 134127039) is N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is O=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is MHTNVFHFDQDYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-4-5-17(13-19)15-31-22-10-9-18(24(33)29-11-12-32)14-21(22)30-23(31)16-34-20-7-2-1-3-8-20/h1-10,13-14,32H,11-12,15-16H2,(H,29,33).
What are the key properties of N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 134127039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).