6-(3,5-dimethylisoxazol-4-yl)-4-(1-hydroxy-1-(pyridin-2-yl)pent-4-en-1-yl)-1H-benzo[d]imidazol-2(3H)-one

HCID 117602020
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Basic information

Standard SMILES
C=CCCC(O)(c1ccccn1)c1cc(-c2c(C)noc2C)cc2[nH]c(=O)[nH]c12
InChIKey
QZGIDLVREAIJRE-UHFFFAOYSA-N
Molecular formula
C22H22N4O3
Average molar mass
390.4 g/mol

Names & identifiers

Preferred name
6-(3,5-dimethylisoxazol-4-yl)-4-(1-hydroxy-1-(pyridin-2-yl)pent-4-en-1-yl)-1H-benzo[d]imidazol-2(3H)-one
IUPAC
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(1-hydroxy-1-pyridin-2-ylpent-4-enyl)-1,3-dihydrobenzimidazol-2-one

Names & synonyms

SCHEMBL16111079QZGIDLVREAIJRE-UHFFFAOYSA-N6-(3,5-dimethylisoxazol-4-yl)-4-(1-hydroxy-1-(pyridin-2-yl)pent-4-en-1-yl)-1H-benzo[d]imidazol-2(3H)-one

Database identifiers

PubChem CID
117602020

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
100 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
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Compound notes

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