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1384430-80-1 | 4-(3-methoxyphenyl)-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CAS No: 1384430-80-1 Catalog No: AG019YR5 MDL No:MFCD22196501
Product Description
Catalog Number:
AG019YR5
Chemical Name:
4-(3-methoxyphenyl)-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CAS Number:
1384430-80-1
Molecular Formula:
C14H19Cl2N3O
Molecular Weight:
316.2262
MDL Number:
MFCD22196501
IUPAC Name:
5-(3-methoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride
InChI:
InChI=1S/C14H17N3O.2ClH/c1-18-11-5-2-4-10(8-11)13-9-16-14(17-13)12-6-3-7-15-12;;/h2,4-5,8-9,12,15H,3,6-7H2,1H3,(H,16,17);2*1H
InChI Key:
NIDWUVQRMVPYOX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1c[nH]c(n1)C1CCCN1.Cl.Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
316.226g/mol
Monoisotopic Mass:
315.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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