trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide

C20H17F3N4O2 — CID 150297324

IUPACtrans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(CNC(=O)[C@@H]1C[C@H]1c1nc2ccccc2[nH]1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)11-5-7-12(8-6-11)25-17(28)10-24-19(29)14-9-13(14)18-26-15-3-1-2-4-16(15)27-18/h1-8,13-14H,9-10H2,(H,24,29)(H,25,28)(H,26,27)/t13-,14-/m1/s1
InChIKeyGIVXKVRIXLRUTR-ZIAGYGMSSA-N
MW402.38 g/mol
LogP3.44
Rot. Bonds5

About trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide (PubChem CID 150297324) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide
PubChem CID150297324
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Nametrans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(CNC(=O)[C@@H]1C[C@H]1c1nc2ccccc2[nH]1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)11-5-7-12(8-6-11)25-17(28)10-24-19(29)14-9-13(14)18-26-15-3-1-2-4-16(15)27-18/h1-8,13-14H,9-10H2,(H,24,29)(H,25,28)(H,26,27)/t13-,14-/m1/s1
InChIKeyGIVXKVRIXLRUTR-ZIAGYGMSSA-N
XLogP3.44
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 146264231
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
CID 135377453
(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
CID 146264225
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(2R)-1-oxo-1-(4-propan-2-yloxyanilino)propan-2-yl]cyclopropane-1-carboxamide
CID 151009764
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
2-[(1S,2S)-2-(1H-benzimidazol-2-yl)cyclopropyl]-N-[(3R)-2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide
CID 142403424
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide
CID 135377627
3-[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42513881
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-quinolin-2-ylethyl)cyclopropane-1-carboxamide
CID 135377878
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide
CID 1057508

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide (CID 150297324) is trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide is O=C(CNC(=O)[C@@H]1C[C@H]1c1nc2ccccc2[nH]1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is GIVXKVRIXLRUTR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c21-20(22,23)11-5-7-12(8-6-11)25-17(28)10-24-19(29)14-9-13(14)18-26-15-3-1-2-4-16(15)27-18/h1-8,13-14H,9-10H2,(H,24,29)(H,25,28)(H,26,27)/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 402.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 150297324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).