2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide

C137H188ClN17O14S — CID 161228035

About 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide

2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide (PubChem CID 161228035) has the molecular formula C137H188ClN17O14S and a molecular weight of 2364.64 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide.

Molecular Properties

• Compound Name: 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide
• PubChem CID: 161228035
• Molecular Formula: C137H188ClN17O14S
• Molecular Weight: 2364.64 g/mol
• Exact Mass: 2362.39
• IUPAC Name: 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide
• SMILES: CC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1ccc(NC(=O)N(C)C)cc1.CC(C)Cc1cccc(C2(C)NC(=O)NC2=O)c1.CC(C)Cc1cccc(C2NC(=O)NC2=O)c1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccnc(Cl)c1.CC(C)Cc1ccncc1.CC(C)[C@@H](C(N)=O)c1cccs1
• InChI: InChI=1S/C15H23NO.3C14H18N2O2.C14H21NO.2C13H16N2O2.C13H20N2O.C9H12ClN.C9H13NOS.C9H13N/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)7-10-5-4-6-11(8-10)14(3)12(17)15-13(18)16-14;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-8(2)6-9-4-3-5-10(7-9)11-12(16)15-13(17)14-11;1-10(2)9-11-5-7-12(8-6-11)14-13(16)15(3)4;1-7(2)5-8-3-4-11-9(10)6-8;1-6(2)8(9(10)11)7-4-3-5-12-7;1-8(2)7-9-3-5-10-6-4-9/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);4-6,8-9H,7H2,1-3H3,(H2,15,16,17,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);3-5,7-8,11H,6H2,1-2H3,(H2,14,15,16,17);5-8,10H,9H2,1-4H3,(H,14,16);3-4,6-7H,5H2,1-2H3;3-6,8H,1-2H3,(H2,10,11);3-6,8H,7H2,1-2H3/t;;;;;;;;;8-;/m.........1./s1
• InChIKey: UYJNKRVHBCQAOP-FKUCZGMHSA-N
• XLogP: 24.82
• TPSA: 408.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 33
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2364.64
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide?

The IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide (CID 161228035) is 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide.

What is the SMILES notation for 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide?

The canonical SMILES for 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide is CC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1ccc(NC(=O)N(C)C)cc1.CC(C)Cc1cccc(C2(C)NC(=O)NC2=O)c1.CC(C)Cc1cccc(C2NC(=O)NC2=O)c1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccnc(Cl)c1.CC(C)Cc1ccncc1.CC(C)[C@@H](C(N)=O)c1cccs1.

What is the InChIKey of 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide?

The InChIKey is UYJNKRVHBCQAOP-FKUCZGMHSA-N. The full InChI is InChI=1S/C15H23NO.3C14H18N2O2.C14H21NO.2C13H16N2O2.C13H20N2O.C9H12ClN.C9H13NOS.C9H13N/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)7-10-5-4-6-11(8-10)14(3)12(17)15-13(18)16-14;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-8(2)6-9-4-3-5-10(7-9)11-12(16)15-13(17)14-11;1-10(2)9-11-5-7-12(8-6-11)14-13(16)15(3)4;1-7(2)5-8-3-4-11-9(10)6-8;1-6(2)8(9(10)11)7-4-3-5-12-7;1-8(2)7-9-3-5-10-6-4-9/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);4-6,8-9H,7H2,1-3H3,(H2,15,16,17,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);3-5,7-8,11H,6H2,1-2H3,(H2,14,15,16,17);5-8,10H,9H2,1-4H3,(H,14,16);3-4,6-7H,5H2,1-2H3;3-6,8H,1-2H3,(H2,10,11);3-6,8H,7H2,1-2H3/t;;;;;;;;;8-;/m.........1./s1.

What are the key properties of 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide?

2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide has a molecular weight of 2364.64 g/mol, XLogP of 24.82, 33 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide is sourced from PubChem (CID 161228035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).