1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

C18H23N5O2S — CID 97437867

About 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 97437867) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
• PubChem CID: 97437867
• Molecular Formula: C18H23N5O2S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.16
• IUPAC Name: 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
• SMILES: CCn1c(=O)n(CC)c2cc(NC(=O)N[C@H](C)c3nccs3)c(C)cc21
• InChI: InChI=1S/C18H23N5O2S/c1-5-22-14-9-11(3)13(10-15(14)23(6-2)18(22)25)21-17(24)20-12(4)16-19-7-8-26-16/h7-10,12H,5-6H2,1-4H3,(H2,20,21,24)/t12-/m1/s1
• InChIKey: XFAAXPZQMUGFMO-GFCCVEGCSA-N
• XLogP: 3.49
• TPSA: 80.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?

The IUPAC name of 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 97437867) is 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.

What is the SMILES notation for 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?

The canonical SMILES for 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is CCn1c(=O)n(CC)c2cc(NC(=O)N[C@H](C)c3nccs3)c(C)cc21.

What is the InChIKey of 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?

The InChIKey is XFAAXPZQMUGFMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-5-22-14-9-11(3)13(10-15(14)23(6-2)18(22)25)21-17(24)20-12(4)16-19-7-8-26-16/h7-10,12H,5-6H2,1-4H3,(H2,20,21,24)/t12-/m1/s1.

What are the key properties of 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?

1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 373.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 97437867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).