UCSF

ZINC00144326

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 2-(2-AMINOPHENYL)BENZIMIDAZOLE 2-(2-AMINOPHENYL)BENZIMIDAZOLE

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CAS Numbers: 5805-39-0 , [5805-39-0]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.98 5.7 -7.7 3 3 0 55 209.252 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 212-216? Alfa-Aesar
Melting_Point 212-216° Alfa-Aesar
MP 213 - 215 Enamine Building Blocks
MP 213-214° Matrix Scientific
MP 213...215 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4662905; US4757124; US4758639; US6096144 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.