General Information of the Compound
Compound ID
CP0310030
Compound Name
2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydro-1H-benzoimidazol-5-yl]-benzamide
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Structure
Formula
C20H21F3N4O
Molecular Weight
390.409
Canonical SMILES
CN1CCC(CC1)N1CNc2ccc(NC(=O)c3c(F)cc(F)cc3F)cc12
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InChI
InChI=1S/C20H21F3N4O/c1-26-6-4-14(5-7-26)27-11-24-17-3-2-13(10-18(17)27)25-20(28)19-15(22)8-12(21)9-16(19)23/h2-3,8-10,14,24H,4-7,11H2,1H3,(H,25,28)
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InChIKey
BBYIBACYQLBDSC-UHFFFAOYSA-N
Physicochemical Property
logP
3.6398
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
47.61
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44395925
ChEMBL ID
CHEMBL187581