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131167-84-5 | 1H-Benzimidazole, 2-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-
CAS No: 131167-84-5 Catalog No: AG000VML MDL No:
Product Description
Catalog Number:
AG000VML
Chemical Name:
1H-Benzimidazole, 2-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-
CAS Number:
131167-84-5
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
2-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-benzimidazole
InChI:
InChI=1S/C15H18N2O2/c1-18-13-8-7-10(9-14(13)19-2)15-16-11-5-3-4-6-12(11)17-15/h7-9H,3-6H2,1-2H3,(H,16,17)
InChI Key:
IMKJNHDEIKSQKX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1nc2c([nH]1)CCCC2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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