1-benzyl-N-[(E)-(1-benzylbenzimidazol-2-yl)diazenyl]benzimidazol-2-amine

Formula:C28H23N7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-benzyl-N-[(E)-(1-benzylbenzimidazol-2-yl)diazenyl]benzimidazol-2-amine is not a drug-like molecule.

MolName1-benzyl-N-[(E)-(1-benzylbenzimidazol-2-yl)diazenyl]benzimidazol-2-amine
MolecularFormulaC28H23N7
SmilesC(c1ccccc1)n1c(N/N=N/c2nc(cccc3)c3n2Cc2ccccc2)nc2c1cccc2
InChIInChI=1S/C28H23N7/c1-3-11-21(12-4-1)19-34-25-17-9-7-15-23(25)29-27(34)31-33-32-28-30-24-16-8-10-18-26(24)35(28)20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,29,30,31,32)
InChIKWOTXKMQSYPUMBK-UHFFFAOYSA-N
TotalMolweight457.54
Molweight457.54
MonoisotopicMass457.201493
CLogP8.3164
CLogS-5.038
H Acceptors7
H Donors1
TotalSurfaceArea359.66
Relative PSA0.19507
PolarSurfaceArea72.39
Druglikeness-1.2145
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms30
Sp3Atoms2
Symmetricatoms4
Aromatic Nitrogens4
BasicNitrogens2
StereoCon

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