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1087788-30-4 | N-(1-phenylethyl)-1H-imidazole-1-carboxamide
CAS No: 1087788-30-4 Catalog No: AG019QPX MDL No:MFCD11099685
Product Description
Catalog Number:
AG019QPX
Chemical Name:
N-(1-phenylethyl)-1H-imidazole-1-carboxamide
CAS Number:
1087788-30-4
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD11099685
IUPAC Name:
N-(1-phenylethyl)imidazole-1-carboxamide
InChI:
InChI=1S/C12H13N3O/c1-10(11-5-3-2-4-6-11)14-12(16)15-8-7-13-9-15/h2-10H,1H3,(H,14,16)
InChI Key:
LBUGXHLSGRNSOZ-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)NC(=O)n1cncc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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