1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C18H25N7O2 — CID 125177949

About 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea

1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 125177949) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
• PubChem CID: 125177949
• Molecular Formula: C18H25N7O2
• Molecular Weight: 371.45 g/mol
• Exact Mass: 371.21
• IUPAC Name: 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
• SMILES: CCn1c(=O)n(CC)c2cc(NC(=O)N[C@H](C)Cn3cncn3)c(C)cc21
• InChI: InChI=1S/C18H25N7O2/c1-5-24-15-7-12(3)14(8-16(15)25(6-2)18(24)27)22-17(26)21-13(4)9-23-11-19-10-20-23/h7-8,10-11,13H,5-6,9H2,1-4H3,(H2,21,22,26)/t13-/m1/s1
• InChIKey: WVVZMCWGRQJHBS-CYBMUJFWSA-N
• XLogP: 1.95
• TPSA: 98.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.45
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?

The IUPAC name of 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 125177949) is 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

What is the SMILES notation for 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?

The canonical SMILES for 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is CCn1c(=O)n(CC)c2cc(NC(=O)N[C@H](C)Cn3cncn3)c(C)cc21.

What is the InChIKey of 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?

The InChIKey is WVVZMCWGRQJHBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-5-24-15-7-12(3)14(8-16(15)25(6-2)18(24)27)22-17(26)21-13(4)9-23-11-19-10-20-23/h7-8,10-11,13H,5-6,9H2,1-4H3,(H2,21,22,26)/t13-/m1/s1.

What are the key properties of 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?

1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 371.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 125177949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).