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Home > Imidazoles > 1955540-75-6
1955540-75-6 | 5-(1H-imidazol-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS No: 1955540-75-6 Catalog No: AG01B21I MDL No:MFCD30180403
Product Description
Catalog Number:
AG01B21I
Chemical Name:
5-(1H-imidazol-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS Number:
1955540-75-6
Molecular Formula:
C10H8N4O
Molecular Weight:
200.1967
MDL Number:
MFCD30180403
IUPAC Name:
5-(1H-imidazol-2-yl)-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C10H8N4O/c15-10-13-7-2-1-6(5-8(7)14-10)9-11-3-4-12-9/h1-5H,(H,11,12)(H2,13,14,15)
InChI Key:
OMTMAPMFAOHOOQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)cc(cc2)c1ncc[nH]1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.201g/mol
Monoisotopic Mass:
200.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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