5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

C24H22N6O2 — CID 137070182

About 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 137070182) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

• Compound Name: 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
• PubChem CID: 137070182
• Molecular Formula: C24H22N6O2
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.18
• IUPAC Name: 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
• SMILES: Cc1[nH]n(-c2cccc3ccccc23)c(=O)c1/C=N/c1cc2[nH]c(=O)[nH]c2cc1N(C)C
• InChI: InChI=1S/C24H22N6O2/c1-14-17(13-25-20-11-18-19(27-24(32)26-18)12-22(20)29(2)3)23(31)30(28-14)21-10-6-8-15-7-4-5-9-16(15)21/h4-13,28H,1-3H3,(H2,26,27,32)/b25-13+
• InChIKey: VILZPXQXBAWCRK-DHRITJCHSA-N
• XLogP: 3.61
• TPSA: 102.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?

The IUPAC name of 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 137070182) is 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

What is the SMILES notation for 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?

The canonical SMILES for 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is Cc1[nH]n(-c2cccc3ccccc23)c(=O)c1/C=N/c1cc2[nH]c(=O)[nH]c2cc1N(C)C.

What is the InChIKey of 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?

The InChIKey is VILZPXQXBAWCRK-DHRITJCHSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-14-17(13-25-20-11-18-19(27-24(32)26-18)12-22(20)29(2)3)23(31)30(28-14)21-10-6-8-15-7-4-5-9-16(15)21/h4-13,28H,1-3H3,(H2,26,27,32)/b25-13+.

What are the key properties of 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?

5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 426.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 137070182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).