2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide

C25H17F3N4O2S — CID 67541894

IUPAC2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide
SMILESNC(=O)C(c1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1)c1nccs1
InChIInChI=1S/C25H17F3N4O2S/c26-25(27,28)17-3-1-2-4-20(17)34-16-8-5-14(6-9-16)23-31-18-10-7-15(13-19(18)32-23)21(22(29)33)24-30-11-12-35-24/h1-13,21H,(H2,29,33)(H,31,32)
InChIKeyXMQHKXMYHWMCCI-UHFFFAOYSA-N
MW494.50 g/mol
LogP6.11
Rot. Bonds6

About 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide

2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide (PubChem CID 67541894) has the molecular formula C25H17F3N4O2S and a molecular weight of 494.50 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide
PubChem CID67541894
Molecular FormulaC25H17F3N4O2S
Molecular Weight494.50 g/mol
Exact Mass494.10
IUPAC Name2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide
SMILESNC(=O)C(c1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1)c1nccs1
InChIInChI=1S/C25H17F3N4O2S/c26-25(27,28)17-3-1-2-4-20(17)34-16-8-5-14(6-9-16)23-31-18-10-7-15(13-19(18)32-23)21(22(29)33)24-30-11-12-35-24/h1-13,21H,(H2,29,33)(H,31,32)
InChIKeyXMQHKXMYHWMCCI-UHFFFAOYSA-N
XLogP6.11
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.50
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 25175138
2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 25192356
2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 25192217
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-fluoro-4-methoxyphenyl)ethanone
CID 89726488
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 124037272
N-(1,3-thiazol-2-ylmethyl)-3-[6-[2-(trifluoromethyl)phenoxy]-1H-benzimidazol-2-yl]benzamide
CID 71568069
2-(2,3-Dihydro-1-benzofuran-5-yl)-N-[5-(1H-pyrrole-2-carbonyl)-1H-1,3-benzodiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 121333734
Pde4-IN-26
CID 172677141
Srtcx1003
CID 75124302
2-[(1S)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,3-thiazole
CID 98042191
4,5,6,7-Tetrahydro-4-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-5-yl 1H-benzimidazole-5-yl ketone
CID 21264440
1-[2-[6-(4-fluorophenoxy)-2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145443

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide (CID 67541894) is 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide is NC(=O)C(c1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide?
The InChIKey is XMQHKXMYHWMCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O2S/c26-25(27,28)17-3-1-2-4-20(17)34-16-8-5-14(6-9-16)23-31-18-10-7-15(13-19(18)32-23)21(22(29)33)24-30-11-12-35-24/h1-13,21H,(H2,29,33)(H,31,32).
What are the key properties of 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide?
2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide has a molecular weight of 494.50 g/mol, XLogP of 6.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 67541894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).