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

C24H22N6O2 — CID 137070182

IUPAC5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1[nH]n(-c2cccc3ccccc23)c(=O)c1/C=N/c1cc2[nH]c(=O)[nH]c2cc1N(C)C
InChIInChI=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+
InChIKeyVILZPXQXBAWCRK-DHRITJCHSA-N
MW426.48 g/mol
LogP3.61
Rot. Bonds4

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 Name5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID137070182
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name5-(dimethylamino)-6-[(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1[nH]n(-c2cccc3ccccc23)c(=O)c1/C=N/c1cc2[nH]c(=O)[nH]c2cc1N(C)C
InChIInChI=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+
InChIKeyVILZPXQXBAWCRK-DHRITJCHSA-N
XLogP3.61
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).