1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

C20H28N6O — CID 125442968

About 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (PubChem CID 125442968) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
• PubChem CID: 125442968
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
• SMILES: Cc1cc2nc(CN(C)C(=O)N[C@H](c3nccn3C)C(C)C)[nH]c2cc1C
• InChI: InChI=1S/C20H28N6O/c1-12(2)18(19-21-7-8-25(19)5)24-20(27)26(6)11-17-22-15-9-13(3)14(4)10-16(15)23-17/h7-10,12,18H,11H2,1-6H3,(H,22,23)(H,24,27)/t18-/m0/s1
• InChIKey: ALSBQMNVTVCKTH-SFHVURJKSA-N
• XLogP: 3.45
• TPSA: 78.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?

The IUPAC name of 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (CID 125442968) is 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.

What is the SMILES notation for 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?

The canonical SMILES for 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is Cc1cc2nc(CN(C)C(=O)N[C@H](c3nccn3C)C(C)C)[nH]c2cc1C.

What is the InChIKey of 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?

The InChIKey is ALSBQMNVTVCKTH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N6O/c1-12(2)18(19-21-7-8-25(19)5)24-20(27)26(6)11-17-22-15-9-13(3)14(4)10-16(15)23-17/h7-10,12,18H,11H2,1-6H3,(H,22,23)(H,24,27)/t18-/m0/s1.

What are the key properties of 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?

1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea has a molecular weight of 368.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is sourced from PubChem (CID 125442968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).