N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide

C19H17F3N4O3 — CID 144901895

IUPACN-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide
SMILESO=C(COc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)[nH]c2c1)NC1CC1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)29-13-5-3-12(4-6-13)24-18-25-15-8-7-14(9-16(15)26-18)28-10-17(27)23-11-1-2-11/h3-9,11H,1-2,10H2,(H,23,27)(H2,24,25,26)
InChIKeyIZDPTOAMGJVHEM-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.86
Rot. Bonds7

About N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide

N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide (PubChem CID 144901895) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide
PubChem CID144901895
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC NameN-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide
SMILESO=C(COc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)[nH]c2c1)NC1CC1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)29-13-5-3-12(4-6-13)24-18-25-15-8-7-14(9-16(15)26-18)28-10-17(27)23-11-1-2-11/h3-9,11H,1-2,10H2,(H,23,27)(H2,24,25,26)
InChIKeyIZDPTOAMGJVHEM-UHFFFAOYSA-N
XLogP3.86
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide
CID 123852648
4-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]benzoic acid
CID 145066753
1,3-dimethylcyclohexane;methyl 2-[4-(trifluoromethoxy)anilino]-3H-benzimidazole-5-carboxylate
CID 144901716
piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone
CID 155001431
2-[[2-[4-(2,2-difluoropropyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-prop-2-enylacetamide
CID 139419413
methyl 2-[methyl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazole-5-carbonyl]amino]acetate
CID 123680659
N-(4-hydroxycyclohexyl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]-3H-benzimidazole-5-carboxamide
CID 123696153
2-fluoro-N-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]benzenesulfinamide
CID 144901772
1,1-dimethylcyclohexane;methyl 2-[6-fluoro-2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]acetate
CID 144901854
N-cyclopropyl-2-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7561654
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
1,1-dimethylcyclohexane;6-(methylaminosulfanyl)-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine
CID 144901556

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide (CID 144901895) is N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide is O=C(COc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)[nH]c2c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide?
The InChIKey is IZDPTOAMGJVHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c20-19(21,22)29-13-5-3-12(4-6-13)24-18-25-15-8-7-14(9-16(15)26-18)28-10-17(27)23-11-1-2-11/h3-9,11H,1-2,10H2,(H,23,27)(H2,24,25,26).
What are the key properties of N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide?
N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide has a molecular weight of 406.36 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide is sourced from PubChem (CID 144901895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).