5-(2-Chloro-5-fluoropyrimidin-4-ylamino)-1H-benzo[d]imidazol-2(3H)-one

HCID 86643643
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1[nH]c2ccc(Nc3nc(Cl)ncc3F)cc2[nH]1
InChIKey
NYJDVEGUEYQAJY-UHFFFAOYSA-N
Molecular formula
C11H7ClFN5O
Average molar mass
279.66 g/mol

Names & identifiers

Preferred name
5-(2-Chloro-5-fluoropyrimidin-4-ylamino)-1H-benzo[d]imidazol-2(3H)-one
IUPAC
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one

Names & synonyms

SCHEMBL339742NYJDVEGUEYQAJY-UHFFFAOYSA-N5-(2-Chloro-5-fluoropyrimidin-4-ylamino)-1H-benzo[d]imidazol-2(3H)-one

Database identifiers

PubChem CID
86643643

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
78.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19

Related reactions

31 records
New reaction record

Linked notes

Loading…