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615-15-6 | 2-Methyl-1H-benzo[d]imidazole
CAS No: 615-15-6 Catalog No: AG003HON MDL No:MFCD00005598
Product Description
Catalog Number:
AG003HON
Chemical Name:
2-Methyl-1H-benzo[d]imidazole
CAS Number:
615-15-6
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00005598
IUPAC Name:
2-methyl-1H-benzimidazole
InChI:
InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
InChI Key:
LDZYRENCLPUXAX-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)cccc2
EC Number:
210-411-9
UNII:
ZH8IWW7Y8B
NSC Number:
6500
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
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| 1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate. | Acta crystallographica. Section E, Structure reports online 20080101 |
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| Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study. | Bioorganic & medicinal chemistry 20070115 |
| (Glycylglycinato-kappa3O,N,N')(2-methyl-1H-benzimidazole-kappaN3)copper(II) trihydrate. | Acta crystallographica. Section C, Crystal structure communications 20060601 |
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