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Home > Imidazoles > 13395-19-2
13395-19-2 | 1H-Benzimidazole-2-propanol,5-methyl-(9CI)
CAS No: 13395-19-2 Catalog No: AG009DQU MDL No:MFCD06150295
Product Description
Catalog Number:
AG009DQU
Chemical Name:
1H-Benzimidazole-2-propanol,5-methyl-(9CI)
CAS Number:
13395-19-2
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD06150295
IUPAC Name:
3-(6-methyl-1H-benzimidazol-2-yl)propan-1-ol
InChI:
InChI=1S/C11H14N2O/c1-8-4-5-9-10(7-8)13-11(12-9)3-2-6-14/h4-5,7,14H,2-3,6H2,1H3,(H,12,13)
InChI Key:
JAGPUKBUCSGTCH-UHFFFAOYSA-N
SMILES:
OCCCc1nc2c([nH]1)ccc(c2)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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