N-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-N-heptyl-N'-propylurea

HCID 10436714

Notes Reactions

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Basic information

Standard SMILES: CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NCCC
InChIKey: ZNCZNPQDYUXVRR-UHFFFAOYSA-N
Molecular formula: C31H44N4OS
Average molar mass: 520.8 g/mol
Monoisotopic mass: 520.32358321

Names & identifiers

Preferred name: N-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-N-heptyl-N'-propylurea
IUPAC: 1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-3-propylurea

Names & synonyms

CHEMBL119678SCHEMBL9370240ZNCZNPQDYUXVRR-UHFFFAOYSA-NBDBM50037622N-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-N-heptyl-N'-propylurea1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-1-heptyl-3-propyl-urea

Database identifiers

PubChem CID: 10436714
ChEMBL: CHEMBL119678
Nikkaji: J627.396C

Properties

Computed structural properties

XLogP: 8.4
Topological polar surface area: 86.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 17
Heavy atoms: 37
Formal charge: 0
Complexity: 594

Related reactions

3 records

New reaction record

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

HRID 374058As productuspto-grants-1992_11

HRID 1109060As productuspto-grants-1994_06

Compound notes

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