UCSF

ZINC04135512

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 12 Yes

Popular Name: 2-isopropyl-1H-benzo[d]imidazole 2-isopropyl-1H-benzo[d]imidazole

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CAS Numbers: 5851-43-4 , [5851-43-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 -0.41 -7.87 1 2 0 29 160.22 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 233-237? Alfa-Aesar
Melting_Point 233-237° Alfa-Aesar
MP 237 - 239 Enamine Building Blocks
MP 237...239 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )