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95893-92-8 | 1-Piperazinecarboxaldehyde, 4-(1H-benzimidazol-2-ylmethyl)-
CAS No: 95893-92-8 Catalog No: AG005WXU MDL No:
Product Description
Catalog Number:
AG005WXU
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(1H-benzimidazol-2-ylmethyl)-
CAS Number:
95893-92-8
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
IUPAC Name:
4-(1H-benzimidazol-2-ylmethyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C13H16N4O/c18-10-17-7-5-16(6-8-17)9-13-14-11-3-1-2-4-12(11)15-13/h1-4,10H,5-9H2,(H,14,15)
InChI Key:
DWGZXHMUIJXCTN-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.298g/mol
Monoisotopic Mass:
244.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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