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Home > Imidazoles > 821004-33-5
821004-33-5 | Benzamide, N-[1,6-dihydro-6-(phenylmethyl)imidazo[4,5-c]pyrazol-3-yl]-
CAS No: 821004-33-5 Catalog No: AG008JSX MDL No:
Product Description
Catalog Number:
AG008JSX
Chemical Name:
Benzamide, N-[1,6-dihydro-6-(phenylmethyl)imidazo[4,5-c]pyrazol-3-yl]-
CAS Number:
821004-33-5
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
IUPAC Name:
N-(6-benzyl-2H-imidazo[4,5-c]pyrazol-3-yl)benzamide
InChI:
InChI=1S/C18H15N5O/c24-18(14-9-5-2-6-10-14)20-16-15-17(22-21-16)23(12-19-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,20,21,22,24)
InChI Key:
AMNPMHIFVVKTQD-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1n[nH]c2c1ncn2Cc1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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