N-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-heptanamine (HCID 10048624)

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Basic information

Standard SMILES: CCCCCCCNCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIKey: DYYRJOXSHFGFLC-UHFFFAOYSA-N
Molecular formula: C27H37N3S
Average molar mass: 435.7 g/mol

Names & identifiers

Preferred name: N-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-heptanamine
IUPAC: N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]heptan-1-amine

Names & synonyms

SCHEMBL9370222DYYRJOXSHFGFLC-UHFFFAOYSA-NN-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-heptanamineN-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-1-heptanamine

Database identifiers

PubChem CID: 10048624

Properties

Computed structural properties

XLogP: 7.7
Topological polar surface area: 66 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 15
Heavy atoms: 31
Formal charge: 0
Complexity: 434

Related reactions

25 records

New reaction record

HRID 152908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 281037As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 374047As productuspto-grants-1992_11

HRID 374048As reactantuspto-grants-1992_11

HRID 374049As reactantuspto-grants-1992_11

HRID 374055As reactantuspto-grants-1992_11

HRID 374057As reactantuspto-grants-1992_11

HRID 374058As reactantuspto-grants-1992_11

Compound notes

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