(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(2-methoxyethyl)piperazin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
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Basic information
- CAS
667402-44-0- Standard SMILES
COCCN1CCN(c2cc(C)c3[nH]c(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)nc3c2)CC1- InChIKey
UQNVJOYCOQUVLD-XMMPIXPASA-N- Molecular formula
- C28H33ClN6O3
- Average molar mass
- 537.1 g/mol
Names & identifiers
- Preferred name
- (S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(2-methoxyethyl)piperazin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
- IUPAC
- 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
- English name
- BMS-577098
- Molecular formula
- C28H33ClN6O3
- Molecular weight
- 537.05
Names & synonyms
CHEMBL1094165orb3173347SCHEMBL5517920BDBM50318112(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(2-methoxyethyl)piperazin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-oneBMS-577098UQNVJOYCOQUVLD-XMMPIXPASA-N2(1H)-Pyridinone, 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[5-[4-(2-methoxyethyl)-1-piperazinyl]-7-methyl-1H-benzimidazol-2-yl]-
Database identifiers
- CAS
667402-44-0- ChEMBL
CHEMBL1094165
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 879
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 11.21 · 11.21±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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