3H-benzo[e]benzimidazol-2-ylmethanol
Basic information
- CAS
4248-59-3- Standard SMILES
OCc1nc2c(ccc3ccccc32)[nH]1- InChIKey
CRWQKDHYIRALAA-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Names & identifiers
- Preferred name
- 3H-benzo[e]benzimidazol-2-ylmethanol
- IUPAC
- 3H-benzo[e]benzimidazol-2-ylmethanol
- English name
- 1H-Naphth[1,2-d]imidazole-2-methanol(8CI,9CI)
- Molecular formula
- C12H10N2O
- Molecular weight
- 0
Names & synonyms
4248-59-3(1H-Naphtho[1,2-d]imidazol-2-yl)methanol3H-benzo[e]benzimidazol-2-ylmethanolNSC403544(3H-Naphtho[1,2-d]imidazol-2-yl)-methanolOprea1_072704Oprea1_731971MLS001210460SCHEMBL6515060CHEMBL1580451DTXSID60323303HMS1704P20
Show more names
1H-Naphth[1,2-d]imidazole-2-methanol(8CI,9CI)
HMS2817O06AKOS003249450NSC-403544SMR000516523(3H-Naphtho[1,2-d]imidazol-2-yl)methanol3H-NAPHTHO[1,2-D]IMIDAZOL-2-YLMETHANOLAK-968/11565199SR-01000406391
Database identifiers
- CAS
4248-59-3- PubChem CID
- 345770
- DTXSID
DTXSID60323303- ChEMBL
CHEMBL1580451
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility>29.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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