(+/-)-5-(7-Chloro-1,2-dimethyl-4H-benzo[5,6]cyclohepta[1,2-d]imidazol-4-yl)-1-methyl-2,4(1H,3H)-pyrimidinedione

HCID 22003604
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Basic information

Standard SMILES
Cc1nc2c(n1C)C=Cc1cc(Cl)ccc1C2c1cn(C)c(=O)[nH]c1=O
InChIKey
MWCKPRIVZXBAJO-UHFFFAOYSA-N
Molecular formula
C19H17ClN4O2
Average molar mass
368.8 g/mol
Monoisotopic mass
368.1040035

Names & identifiers

Preferred name
(+/-)-5-(7-Chloro-1,2-dimethyl-4H-benzo[5,6]cyclohepta[1,2-d]imidazol-4-yl)-1-methyl-2,4(1H,3H)-pyrimidinedione
IUPAC
5-(12-chloro-5,6-dimethyl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione

Names & synonyms

SCHEMBL7500431MWCKPRIVZXBAJO-UHFFFAOYSA-N(+/-)-5-(7-Chloro-1,2-dimethyl-4H-benzo[5,6]cyclohepta[1,2-d]imidazol-4-yl)-1-methyl-2,4(1H,3H)-pyrimidinedione

Database identifiers

PubChem CID
22003604

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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