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428856-23-9 | [1-(4-methylbenzyl)-1H-benzimidazol-2-yl]methanol
CAS No: 428856-23-9 Catalog No: AG0070U5 MDL No:MFCD02858822
Product Description
Catalog Number:
AG0070U5
Chemical Name:
[1-(4-methylbenzyl)-1H-benzimidazol-2-yl]methanol
CAS Number:
428856-23-9
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
MDL Number:
MFCD02858822
IUPAC Name:
[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanol
InChI:
InChI=1S/C16H16N2O/c1-12-6-8-13(9-7-12)10-18-15-5-3-2-4-14(15)17-16(18)11-19/h2-9,19H,10-11H2,1H3
InChI Key:
HGWWVTNFOCMXDS-UHFFFAOYSA-N
SMILES:
OCc1nc2c(n1Cc1ccc(cc1)C)cccc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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