(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide

C26H18F2N4O — CID 18286599

IUPAC(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C26H18F2N4O/c27-26(28)32-22-9-2-1-8-21(22)31-25(32)19-10-13-20(14-11-19)30-23(33)15-12-18-6-3-5-17-7-4-16-29-24(17)18/h1-16,26H,(H,30,33)/b15-12+
InChIKeyORVOKVOCEMRVPF-NTCAYCPXSA-N
MW440.45 g/mol
LogP6.30
Rot. Bonds5

About (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 18286599) has the molecular formula C26H18F2N4O and a molecular weight of 440.45 g/mol. Its IUPAC name is (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID18286599
Molecular FormulaC26H18F2N4O
Molecular Weight440.45 g/mol
Exact Mass440.14
IUPAC Name(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C26H18F2N4O/c27-26(28)32-22-9-2-1-8-21(22)31-25(32)19-10-13-20(14-11-19)30-23(33)15-12-18-6-3-5-17-7-4-16-29-24(17)18/h1-16,26H,(H,30,33)/b15-12+
InChIKeyORVOKVOCEMRVPF-NTCAYCPXSA-N
XLogP6.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide 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

(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
CID 17438775
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide
CID 166155644
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
CID 24623803
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 16581032
(E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 134050608
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide (CID 18286599) is (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1cccc2cccnc12)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1.
What is the InChIKey of (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is ORVOKVOCEMRVPF-NTCAYCPXSA-N. The full InChI is InChI=1S/C26H18F2N4O/c27-26(28)32-22-9-2-1-8-21(22)31-25(32)19-10-13-20(14-11-19)30-23(33)15-12-18-6-3-5-17-7-4-16-29-24(17)18/h1-16,26H,(H,30,33)/b15-12+.
What are the key properties of (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 440.45 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 18286599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).