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Home > Imidazoles > 1311313-73-1
1311313-73-1 | 4-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CAS No: 1311313-73-1 Catalog No: AG01AHJN MDL No:MFCD18785497
Product Description
Catalog Number:
AG01AHJN
Chemical Name:
4-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CAS Number:
1311313-73-1
Molecular Formula:
C14H17Cl2N3O2
Molecular Weight:
330.2097
MDL Number:
MFCD18785497
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride
InChI:
InChI=1S/C14H15N3O2.2ClH/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);2*1H
InChI Key:
ZKKNICPAKOXQSO-UHFFFAOYSA-N
SMILES:
C1CNC(C1)c1[nH]cc(n1)c1ccc2c(c1)OCO2.Cl.Cl
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
330.209g/mol
Monoisotopic Mass:
329.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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