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665023-38-1 | 1H-Benzimidazole-5-carbonitrile, 1-butyl-2-(3,4-dimethoxyphenyl)-
CAS No: 665023-38-1 Catalog No: AG006KXK MDL No:
Product Description
Catalog Number:
AG006KXK
Chemical Name:
1H-Benzimidazole-5-carbonitrile, 1-butyl-2-(3,4-dimethoxyphenyl)-
CAS Number:
665023-38-1
Molecular Formula:
C20H21N3O2
Molecular Weight:
335.3996
IUPAC Name:
1-butyl-2-(3,4-dimethoxyphenyl)benzimidazole-5-carbonitrile
InChI:
InChI=1S/C20H21N3O2/c1-4-5-10-23-17-8-6-14(13-21)11-16(17)22-20(23)15-7-9-18(24-2)19(12-15)25-3/h6-9,11-12H,4-5,10H2,1-3H3
InChI Key:
AAWBXUQYAFSTOH-UHFFFAOYSA-N
SMILES:
CCCCn1c(nc2c1ccc(c2)C#N)c1ccc(c(c1)OC)OC
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.407g/mol
Monoisotopic Mass:
335.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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