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1087797-80-5 | N-[3-(1H-imidazol-1-yl)propyl]-1H-imidazole-1-carboxamide
CAS No: 1087797-80-5 Catalog No: AG019QQO MDL No:MFCD11099718
Product Description
Catalog Number:
AG019QQO
Chemical Name:
N-[3-(1H-imidazol-1-yl)propyl]-1H-imidazole-1-carboxamide
CAS Number:
1087797-80-5
Molecular Formula:
C10H13N5O
Molecular Weight:
219.2431
MDL Number:
MFCD11099718
IUPAC Name:
N-(3-imidazol-1-ylpropyl)imidazole-1-carboxamide
InChI:
InChI=1S/C10H13N5O/c16-10(15-7-4-12-9-15)13-2-1-5-14-6-3-11-8-14/h3-4,6-9H,1-2,5H2,(H,13,16)
InChI Key:
VZMZYBSVTNGYSC-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)NCCCn1cncc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.248g/mol
Monoisotopic Mass:
219.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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