C22H18N3O2Cl | Cheminformatics

5-chloro-2-methoxy-N-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

Formula:C22H18N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-chloro-2-methoxy-N-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is a drug-like molecule.

MolName5-chloro-2-methoxy-N-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
MolecularFormulaC22H18N3O2Cl
SmilesCc(cc1)cc2c1nc(-c1cccc(NC(c(cc(cc3)Cl)c3OC)=O)c1)[nH]2
InChIInChI=1S/C22H18ClN3O2/c1-13-6-8-18-19(10-13)26-21(25-18)14-4-3-5-16(11-14)24-22(27)17-12-15(23)7-9-20(17)28-2/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKCYGQHISFJVSNIV-UHFFFAOYSA-N
TotalMolweight391.857
Molweight391.857
MonoisotopicMass391.108754
CLogP4.9296
CLogS-6.582
H Acceptors5
H Donors2
TotalSurfaceArea294.86
Relative PSA0.20166
PolarSurfaceArea67.01
Druglikeness1.058
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53571
Fragments1
Non HAtoms28
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms3
Amides1
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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