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Home > Imidazoles > 171088-82-7
171088-82-7 | Phenol, 4-(4,10-dihydro-2-phenylpyrimido[1,2-a]benzimidazol-4-yl)-
CAS No: 171088-82-7 Catalog No: AG001YI1 MDL No:
Product Description
Catalog Number:
AG001YI1
Chemical Name:
Phenol, 4-(4,10-dihydro-2-phenylpyrimido[1,2-a]benzimidazol-4-yl)-
CAS Number:
171088-82-7
Molecular Formula:
C22H17N3O
Molecular Weight:
339.3899
IUPAC Name:
4-(2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazol-4-yl)phenol
InChI:
InChI=1S/C22H17N3O/c26-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)24-22-23-18-8-4-5-9-20(18)25(21)22/h1-14,21,26H,(H,23,24)
InChI Key:
BKZJRVQULOTRJT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1C=C(N=c2n1c1ccccc1[nH]2)c1ccccc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.398g/mol
Monoisotopic Mass:
339.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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