3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride

C25H31Cl3N4O2 — CID 141251147

IUPAC3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride
SMILESCC(C)C[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(=O)N2)cc1.Cl
InChIInChI=1S/C25H30Cl2N4O2.ClH/c1-16(2)12-19-4-3-10-30(19)15-22-20(26)13-21(27)25(33)31(22)11-9-17-5-7-18(8-6-17)24-28-14-23(32)29-24;/h5-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H,28,29,32);1H/t19-;/m1./s1
InChIKeyOELULGOUWMKXDQ-FSRHSHDFSA-N
MW525.91 g/mol
LogP4.71
Rot. Bonds8

About 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride

3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride (PubChem CID 141251147) has the molecular formula C25H31Cl3N4O2 and a molecular weight of 525.91 g/mol. Its IUPAC name is 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride
PubChem CID141251147
Molecular FormulaC25H31Cl3N4O2
Molecular Weight525.91 g/mol
Exact Mass524.15
IUPAC Name3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride
SMILESCC(C)C[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(=O)N2)cc1.Cl
InChIInChI=1S/C25H30Cl2N4O2.ClH/c1-16(2)12-19-4-3-10-30(19)15-22-20(26)13-21(27)25(33)31(22)11-9-17-5-7-18(8-6-17)24-28-14-23(32)29-24;/h5-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H,28,29,32);1H/t19-;/m1./s1
InChIKeyOELULGOUWMKXDQ-FSRHSHDFSA-N
XLogP4.71
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.91
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride?
The IUPAC name of 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride (CID 141251147) is 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride is CC(C)C[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(=O)N2)cc1.Cl.
What is the InChIKey of 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride?
The InChIKey is OELULGOUWMKXDQ-FSRHSHDFSA-N. The full InChI is InChI=1S/C25H30Cl2N4O2.ClH/c1-16(2)12-19-4-3-10-30(19)15-22-20(26)13-21(27)25(33)31(22)11-9-17-5-7-18(8-6-17)24-28-14-23(32)29-24;/h5-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H,28,29,32);1H/t19-;/m1./s1.
What are the key properties of 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride?
3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride has a molecular weight of 525.91 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 141251147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).