2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine

C26H33ClN4O2S — CID 143160668

About 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine

2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine (PubChem CID 143160668) has the molecular formula C26H33ClN4O2S and a molecular weight of 501.10 g/mol. Its IUPAC name is 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine.

Molecular Properties

• Compound Name: 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
• PubChem CID: 143160668
• Molecular Formula: C26H33ClN4O2S
• Molecular Weight: 501.10 g/mol
• Exact Mass: 500.20
• IUPAC Name: 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
• SMILES: C=Cc1ccc(Cl)s1.CNCC1CC(c2ccc(C3=NCCN3C)cc2OC2CCCC2)=NO1
• InChI: InChI=1S/C20H28N4O2.C6H5ClS/c1-21-13-16-12-18(23-26-16)17-8-7-14(20-22-9-10-24(20)2)11-19(17)25-15-5-3-4-6-15;1-2-5-3-4-6(7)8-5/h7-8,11,15-16,21H,3-6,9-10,12-13H2,1-2H3;2-4H,1H2
• InChIKey: GRCWTDSUDOBQNV-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 58.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.10
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?

The IUPAC name of 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine (CID 143160668) is 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine.

What is the SMILES notation for 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?

The canonical SMILES for 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine is C=Cc1ccc(Cl)s1.CNCC1CC(c2ccc(C3=NCCN3C)cc2OC2CCCC2)=NO1.

What is the InChIKey of 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?

The InChIKey is GRCWTDSUDOBQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.C6H5ClS/c1-21-13-16-12-18(23-26-16)17-8-7-14(20-22-9-10-24(20)2)11-19(17)25-15-5-3-4-6-15;1-2-5-3-4-6(7)8-5/h7-8,11,15-16,21H,3-6,9-10,12-13H2,1-2H3;2-4H,1H2.

What are the key properties of 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine?

2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine has a molecular weight of 501.10 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-ethenylthiophene;1-[3-[2-cyclopentyloxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 143160668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).