3-methyl-2-(2-methylprop-2-enyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Basic information
- CAS
612037-85-1- Standard SMILES
C=C(C)Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O- InChIKey
GHIMGENTIKHEIZ-UHFFFAOYSA-N- Molecular formula
- C17H15N3O
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.12151211
Names & identifiers
- Preferred name
- 3-methyl-2-(2-methylprop-2-enyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 3-methyl-2-(2-methylprop-2-enyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Names & synonyms
3-methyl-2-(2-methylprop-2-enyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile612037-85-1MLS0011962443-methyl-2-(2-methylprop-2-en-1-yl)-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrileSMR0005563673-methyl-2-(2-methylprop-2-enyl)-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrilecid_752162CHEMBL1307714BDBM83952DTXSID701320414HMS2854B11CCG-22406
Show more names
STK104212ZINC00390202AKOS000546020Z574527391-HO-3-METHYL-2-(2-METHYL-2-PROPENYL)PYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILE1-keto-3-methyl-2-(2-methylallyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile3-methyl-2-(2-methylallyl)-1-oxo-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile3-methyl-2-(2-methylprop-2-enyl)-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Database identifiers
- CAS
612037-85-1- PubChem CID
- 752162
- DTXSID
DTXSID701320414- ChEMBL
CHEMBL1307714
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 632
Experimental & physicochemical properties
Solubility2.9 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…