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85437-22-5 | 1H-Imidazole-1-carboxamide, N,N'-(methyl-1,3-phenylene)bis-
CAS No: 85437-22-5 Catalog No: AG004JXU MDL No:
Product Description
Catalog Number:
AG004JXU
Chemical Name:
1H-Imidazole-1-carboxamide, N,N'-(methyl-1,3-phenylene)bis-
CAS Number:
85437-22-5
Molecular Formula:
C15H14N6O2
Molecular Weight:
310.3107
IUPAC Name:
N-[3-(imidazole-1-carbonylamino)-2-methylphenyl]imidazole-1-carboxamide
InChI:
InChI=1S/C15H14N6O2/c1-11-12(18-14(22)20-7-5-16-9-20)3-2-4-13(11)19-15(23)21-8-6-17-10-21/h2-10H,1H3,(H,18,22)(H,19,23)
InChI Key:
VDXFPRDKBCCABX-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1NC(=O)n1cncc1)NC(=O)n1cncc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.118g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.317g/mol
Monoisotopic Mass:
310.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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