5-chloro-2-[1-(3-chloro-benzyl)-5,6-difluoro-1H-benzoimidazol-2-yl]-phenol

HCID 136378480

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1Cc1cccc(Cl)c1
InChIKey: CYGVFGWRMHUZLL-UHFFFAOYSA-N
Molecular formula: C20H12Cl2F2N2O
Average molar mass: 405.2 g/mol

Names & identifiers

Preferred name: 5-chloro-2-[1-(3-chloro-benzyl)-5,6-difluoro-1H-benzoimidazol-2-yl]-phenol
IUPAC: 5-chloro-2-[1-[(3-chlorophenyl)methyl]-5,6-difluorobenzimidazol-2-yl]phenol

Names & synonyms

SCHEMBL1482341CYGVFGWRMHUZLL-UHFFFAOYSA-N5-chloro-2-[1-(3-chloro-benzyl)-5,6-difluoro-1H-benzoimidazol-2-yl]-phenol

Database identifiers

PubChem CID: 136378480

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 516

Related reactions

8 records

New reaction record

HRID 302658As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 834758As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1229145As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1558896As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1875794As reactantuspto-grants-2012_11

HRID 1875795As reactantuspto-grants-2012_11

HRID 1875796As reactantuspto-grants-2012_11

HRID 1875797As reactantuspto-grants-2012_11

Compound notes

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