3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide

C19H21Cl2F3N4O2 — CID 126536367

IUPAC3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide
SMILESCNc1nc2c(Cl)c(Cl)ccc2n1C(C=O)(NC(=O)CCC1CCCC1)C(F)(F)F
InChIInChI=1S/C19H21Cl2F3N4O2/c1-25-17-26-16-13(8-7-12(20)15(16)21)28(17)18(10-29,19(22,23)24)27-14(30)9-6-11-4-2-3-5-11/h7-8,10-11H,2-6,9H2,1H3,(H,25,26)(H,27,30)
InChIKeyKNQXPKFSNBTPQO-UHFFFAOYSA-N
MW465.30 g/mol
LogP4.89
Rot. Bonds7

About 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide

3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide (PubChem CID 126536367) has the molecular formula C19H21Cl2F3N4O2 and a molecular weight of 465.30 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide
PubChem CID126536367
Molecular FormulaC19H21Cl2F3N4O2
Molecular Weight465.30 g/mol
Exact Mass464.10
IUPAC Name3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide
SMILESCNc1nc2c(Cl)c(Cl)ccc2n1C(C=O)(NC(=O)CCC1CCCC1)C(F)(F)F
InChIInChI=1S/C19H21Cl2F3N4O2/c1-25-17-26-16-13(8-7-12(20)15(16)21)28(17)18(10-29,19(22,23)24)27-14(30)9-6-11-4-2-3-5-11/h7-8,10-11H,2-6,9H2,1H3,(H,25,26)(H,27,30)
InChIKeyKNQXPKFSNBTPQO-UHFFFAOYSA-N
XLogP4.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide (CID 126536367) is 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide is CNc1nc2c(Cl)c(Cl)ccc2n1C(C=O)(NC(=O)CCC1CCCC1)C(F)(F)F.
What is the InChIKey of 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide?
The InChIKey is KNQXPKFSNBTPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2F3N4O2/c1-25-17-26-16-13(8-7-12(20)15(16)21)28(17)18(10-29,19(22,23)24)27-14(30)9-6-11-4-2-3-5-11/h7-8,10-11H,2-6,9H2,1H3,(H,25,26)(H,27,30).
What are the key properties of 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide?
3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide has a molecular weight of 465.30 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[4,5-dichloro-2-(methylamino)benzimidazol-1-yl]-1,1,1-trifluoro-3-oxopropan-2-yl]propanamide is sourced from PubChem (CID 126536367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).