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Home > Imidazoles > 1153102-92-1
1153102-92-1 | 4-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidin-2-yl)-1H-imidazole
CAS No: 1153102-92-1 Catalog No: AG01ADNG MDL No:MFCD30491082
Product Description
Catalog Number:
AG01ADNG
Chemical Name:
4-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidin-2-yl)-1H-imidazole
CAS Number:
1153102-92-1
Molecular Formula:
C14H15N3O2
Molecular Weight:
257.2878
MDL Number:
MFCD30491082
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1H-imidazole
InChI:
InChI=1S/C14H15N3O2/c1-2-10(15-5-1)14-16-7-11(17-14)9-3-4-12-13(6-9)19-8-18-12/h3-4,6-7,10,15H,1-2,5,8H2,(H,16,17)
InChI Key:
PPNOFTXMFCRVDC-UHFFFAOYSA-N
SMILES:
C1CNC(C1)c1[nH]cc(n1)c1ccc2c(c1)OCO2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.293g/mol
Monoisotopic Mass:
257.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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