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5,6-dimethyl-2-propyl-1H-1,3-benzodiazole

5,6-dimethyl-2-propyl-1H-1,3-benzodiazole

CAS: 82326-42-9

Formula: C12H16N2

SMILES: CCCC1=NC2=CC(C)=C(C)C=C2N1

IUPAC: 5,6-dimethyl-2-propyl-1H-1,3-benzodiazole

InChI: InChI=1S/C12H16N2/c1-4-5-12-13-10-6-8(2)9(3)7-11(10)14-12/h6-7H,4-5H2,1-3H3,(H,13,14)

Composition: C (76.55%), H (8.57%), N (14.88%)

Molar Mass: 188.274

Atom Count: 30

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 188.131348523
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey CEBIUPNWQBWRSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.72
Topological Polar Surface Area 28.68
Polarizability 23.68
Ring Count 2
Rotatable Bond Count 2

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