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

C82H111ClN10O8S — CID 159880596

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

2-chloro-4-(2-methylpropyl)pyridine;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide (PubChem CID 159880596) has the molecular formula C82H111ClN10O8S and a molecular weight of 1432.37 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)pyridine;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;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;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide
• PubChem CID: 159880596
• Molecular Formula: C82H111ClN10O8S
• Molecular Weight: 1432.37 g/mol
• Exact Mass: 1430.80
• IUPAC Name: 2-chloro-4-(2-methylpropyl)pyridine;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide
• SMILES: CC(C)Cc1ccc(N2CCOCC2)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/2C14H18N2O2.C14H21NO.C13H16N2O2.C9H12ClN.C9H13NOS.C9H13N/c1-9(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)6-9-4-3-5-10(7-9)11-12(16)15-13(17)14-11;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/h4-6,8-9H,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;3-5,7-8,11H,6H2,1-2H3,(H2,14,15,16,17);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: NTLZPJGOSOUBHX-ZIUCWOJRSA-N
• XLogP: 15.25
• TPSA: 255.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1432.37
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

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;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;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;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide (CID 159880596) is 2-chloro-4-(2-methylpropyl)pyridine;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;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;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;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;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide is CC(C)Cc1ccc(N2CCOCC2)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;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide?

The InChIKey is NTLZPJGOSOUBHX-ZIUCWOJRSA-N. The full InChI is InChI=1S/2C14H18N2O2.C14H21NO.C13H16N2O2.C9H12ClN.C9H13NOS.C9H13N/c1-9(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)6-9-4-3-5-10(7-9)11-12(16)15-13(17)14-11;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/h4-6,8-9H,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;3-5,7-8,11H,6H2,1-2H3,(H2,14,15,16,17);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;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide?

2-chloro-4-(2-methylpropyl)pyridine;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide has a molecular weight of 1432.37 g/mol, XLogP of 15.25, 20 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(2-methylpropyl)pyridine;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;(2S)-3-methyl-2-thiophen-2-ylbutanamide is sourced from PubChem (CID 159880596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).