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116238-44-9 | 1H-Imidazole-2-carboxamide, 4,5-bis(4-chlorophenyl)-N-cyclohexyl-
CAS No: 116238-44-9 Catalog No: AG000C0Q MDL No:
Product Description
Catalog Number:
AG000C0Q
Chemical Name:
1H-Imidazole-2-carboxamide, 4,5-bis(4-chlorophenyl)-N-cyclohexyl-
CAS Number:
116238-44-9
Molecular Formula:
C22H21Cl2N3O
Molecular Weight:
414.3276
IUPAC Name:
4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide
InChI:
InChI=1S/C22H21Cl2N3O/c23-16-10-6-14(7-11-16)19-20(15-8-12-17(24)13-9-15)27-21(26-19)22(28)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,25,28)(H,26,27)
InChI Key:
GOWAJQWDPFWVDT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)Cl)C(=O)NC1CCCCC1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.106g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.33g/mol
Monoisotopic Mass:
413.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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