2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide

C26H17ClF3N3O2S — CID 67541722

IUPAC2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-24(34)31-16-7-11-20-21(13-16)33-25(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)
InChIKeyFGRIPBQVQDJCDA-UHFFFAOYSA-N
MW527.96 g/mol
LogP7.94
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide

2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide (PubChem CID 67541722) has the molecular formula C26H17ClF3N3O2S and a molecular weight of 527.96 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide
PubChem CID67541722
Molecular FormulaC26H17ClF3N3O2S
Molecular Weight527.96 g/mol
Exact Mass527.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-24(34)31-16-7-11-20-21(13-16)33-25(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)
InChIKeyFGRIPBQVQDJCDA-UHFFFAOYSA-N
XLogP7.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.96
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide
CID 166322657
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 25066173
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935054
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31776002
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
[5-[[2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]acetyl]amino]-2-phenylphenyl]methanesulfonic acid
CID 174470924
N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide
CID 142812840

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide (CID 67541722) is 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide is O=C(Cc1ccc(Cl)s1)Nc1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide?
The InChIKey is FGRIPBQVQDJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-24(34)31-16-7-11-20-21(13-16)33-25(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide?
2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide has a molecular weight of 527.96 g/mol, XLogP of 7.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 67541722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).