1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea

C18H23N5OS — CID 126427621

About 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea

1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea (PubChem CID 126427621) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea
• PubChem CID: 126427621
• Molecular Formula: C18H23N5OS
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.16
• IUPAC Name: 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea
• SMILES: Cc1nc([C@H](C)N(C)C(=O)NCc2nc3ccccc3n2C)c(C)s1
• InChI: InChI=1S/C18H23N5OS/c1-11(17-12(2)25-13(3)20-17)22(4)18(24)19-10-16-21-14-8-6-7-9-15(14)23(16)5/h6-9,11H,10H2,1-5H3,(H,19,24)/t11-/m0/s1
• InChIKey: DKYGEPIJDMYYBO-NSHDSACASA-N
• XLogP: 3.55
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea?

The IUPAC name of 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea (CID 126427621) is 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea.

What is the SMILES notation for 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea?

The canonical SMILES for 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea is Cc1nc([C@H](C)N(C)C(=O)NCc2nc3ccccc3n2C)c(C)s1.

What is the InChIKey of 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea?

The InChIKey is DKYGEPIJDMYYBO-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N5OS/c1-11(17-12(2)25-13(3)20-17)22(4)18(24)19-10-16-21-14-8-6-7-9-15(14)23(16)5/h6-9,11H,10H2,1-5H3,(H,19,24)/t11-/m0/s1.

What are the key properties of 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea?

1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea has a molecular weight of 357.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]urea is sourced from PubChem (CID 126427621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).