Molecules/(3S)-3-(1H-benzimidazol-2-ylamino)-N-(cyanomethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

(3S)-3-(1H-benzimidazol-2-ylamino)-N-(cyanomethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

C20H18F3N5O401.40 g/molCID 170836017

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Molecular Identity

(3S)-3-(1H-benzimidazol-2-ylamino)-N-(cyanomethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

PubChem CID: 170836017

2D Structure

Properties

C₂₀H₁₈F₃N₅O

Molecular Formula

401.40

Molecular Weight

g/mol

401.1463

Exact Mass

XLogP

Drug-like (Lipinski: < 5)

84.8

TPSA

Good oral absorption (< 140 A²)

H-Bond Donors

H-Bond Acceptors

619

Complexity

SMILES

Canonical SMILES

SMILES: CN(CC#N)C(=O)CC(C1=CC(=CC=C1)C(F)(F)F)NC2=NC3=CC=CC=C3N2

Isomeric SMILES

SMILES: CN(CC#N)C(=O)C[C@@H](C1=CC(=CC=C1)C(F)(F)F)NC2=NC3=CC=CC=C3N2

Synonyms(8)

AP30663A1ETXGTPL14034KPVQYQOKIIKXMI-KRWDZBQOSA-NAP-30663HY-157557CS-0979343(3S)-3-(1H-benzimidazol-2-ylamino)-N-(cyanomethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

Data from PubChem (NCBI)

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Molecular Structure

(3S)-3-(1H-benzimidazol-2-ylamino)-N-(cyanomethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

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Source: PubChem

Drug Network

Trials and conditions connected to (3S)-3-(1H-benzimidazol-2-ylamino)-N-(cyanomethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

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