2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane

C77H71Cl6F9N10O3 — CID 157401090

IUPAC2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane
SMILESC1CCCCC1.ClCc1ccc(Cl)nc1.O=C1N(Cc2ccc(Cl)nc2)C[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1.O=C1N(Cc2ccc(N3CCCCC3)nc2)C[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1.O=C1NC[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C27H26ClF3N4O.C22H16Cl2F3N3O.C16H12ClF3N2O.C6H5Cl2N.C6H12/c28-22-8-10-23(11-9-22)35-24(20-5-4-6-21(15-20)27(29,30)31)18-34(26(35)36)17-19-7-12-25(32-16-19)33-13-2-1-3-14-33;23-17-5-7-18(8-6-17)30-19(15-2-1-3-16(10-15)22(25,26)27)13-29(21(30)31)12-14-4-9-20(24)28-11-14;17-12-4-6-13(7-5-12)22-14(9-21-15(22)23)10-2-1-3-11(8-10)16(18,19)20;7-3-5-1-2-6(8)9-4-5;1-2-4-6-5-3-1/h4-12,15-16,24H,1-3,13-14,17-18H2;1-11,19H,12-13H2;1-8,14H,9H2,(H,21,23);1-2,4H,3H2;1-6H2/t24-;19-;14-;;/m111../s1
InChIKeyBNECGPCOXPROOV-KATBJLGMSA-N
MW1568.18 g/mol
LogP22.96
Rot. Bonds12

About 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane

2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane (PubChem CID 157401090) has the molecular formula C77H71Cl6F9N10O3 and a molecular weight of 1568.18 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane.

Molecular Properties

Compound Name2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane
PubChem CID157401090
Molecular FormulaC77H71Cl6F9N10O3
Molecular Weight1568.18 g/mol
Exact Mass1564.37
IUPAC Name2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane
SMILESC1CCCCC1.ClCc1ccc(Cl)nc1.O=C1N(Cc2ccc(Cl)nc2)C[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1.O=C1N(Cc2ccc(N3CCCCC3)nc2)C[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1.O=C1NC[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C27H26ClF3N4O.C22H16Cl2F3N3O.C16H12ClF3N2O.C6H5Cl2N.C6H12/c28-22-8-10-23(11-9-22)35-24(20-5-4-6-21(15-20)27(29,30)31)18-34(26(35)36)17-19-7-12-25(32-16-19)33-13-2-1-3-14-33;23-17-5-7-18(8-6-17)30-19(15-2-1-3-16(10-15)22(25,26)27)13-29(21(30)31)12-14-4-9-20(24)28-11-14;17-12-4-6-13(7-5-12)22-14(9-21-15(22)23)10-2-1-3-11(8-10)16(18,19)20;7-3-5-1-2-6(8)9-4-5;1-2-4-6-5-3-1/h4-12,15-16,24H,1-3,13-14,17-18H2;1-11,19H,12-13H2;1-8,14H,9H2,(H,21,23);1-2,4H,3H2;1-6H2/t24-;19-;14-;;/m111../s1
InChIKeyBNECGPCOXPROOV-KATBJLGMSA-N
XLogP22.96
TPSA121.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001568.18
LogP ≤ 522.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane with MolForge

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Related Compounds

[3-(3,4-Dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 87397940
2,3-Dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine
CID 158475395
2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;piperidine
CID 158553203
(9S)-4-chloro-N-pyridin-2-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-4-chloro-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene;3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione;sulfane
CID 158756716
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 159353015
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-5-propan-2-yl-3-(trideuteriomethyl)imidazolidin-2-one;(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159680699
N-benzyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-[(3-tert-butylphenyl)methyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 159779297
(9S)-4-chloro-N-(4-phenylpyrimidin-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-4-chloro-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene;4-phenylpyrimidin-2-amine
CID 160721808
(2R)-N-[2-(4-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,2-diphenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 160746477
2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
CID 160999175
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 161034446
(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;(2R)-2-methyl-N-(3-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 161078255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane?
The IUPAC name of 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane (CID 157401090) is 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane.
What is the SMILES notation for 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane?
The canonical SMILES for 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane is C1CCCCC1.ClCc1ccc(Cl)nc1.O=C1N(Cc2ccc(Cl)nc2)C[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1.O=C1N(Cc2ccc(N3CCCCC3)nc2)C[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1.O=C1NC[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane?
The InChIKey is BNECGPCOXPROOV-KATBJLGMSA-N. The full InChI is InChI=1S/C27H26ClF3N4O.C22H16Cl2F3N3O.C16H12ClF3N2O.C6H5Cl2N.C6H12/c28-22-8-10-23(11-9-22)35-24(20-5-4-6-21(15-20)27(29,30)31)18-34(26(35)36)17-19-7-12-25(32-16-19)33-13-2-1-3-14-33;23-17-5-7-18(8-6-17)30-19(15-2-1-3-16(10-15)22(25,26)27)13-29(21(30)31)12-14-4-9-20(24)28-11-14;17-12-4-6-13(7-5-12)22-14(9-21-15(22)23)10-2-1-3-11(8-10)16(18,19)20;7-3-5-1-2-6(8)9-4-5;1-2-4-6-5-3-1/h4-12,15-16,24H,1-3,13-14,17-18H2;1-11,19H,12-13H2;1-8,14H,9H2,(H,21,23);1-2,4H,3H2;1-6H2/t24-;19-;14-;;/m111../s1.
What are the key properties of 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane?
2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane has a molecular weight of 1568.18 g/mol, XLogP of 22.96, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane is sourced from PubChem (CID 157401090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).