2-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-

HCID 3069764

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Basic information

CAS: 85127-88-4
Standard SMILES: C=C(c1ccccc1OCC(O)CNC(C)(C)C)n1cnc2ccccc21
InChIKey: HAAUBVPBGJLBEO-UHFFFAOYSA-N
Molecular formula: C22H27N3O2
Average molar mass: 365.5 g/mol
Monoisotopic mass: 365.21032711

Names & identifiers

Preferred name: 2-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-
IUPAC: 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol

Names & synonyms

BRN 56100703-(tert-Butylamino)-1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-2-propanol85127-88-42-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-RefChem:265793CHEMBL274014DTXSID2010055341-{2-[1-(1H-1,3-Benzimidazol-1-yl)ethen-1-yl]phenoxy}-3-(tert-butylamino)propan-2-ol1-{2-[1-(1H-Benzimidazol-1-yl)ethenyl]phenoxy}-3-(tert-butylamino)propan-2-ol

Database identifiers

CAS: 85127-88-4
PubChem CID: 3069764
DTXSID: DTXSID201005534
ChEMBL: CHEMBL274014

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 59.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 490

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