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406945-15-1 | 2-(HYDROXYMETHYL)-1-ISOPENTYL-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
CAS No: 406945-15-1 Catalog No: AG01DLD6 MDL No:MFCD26396434
Product Description
Catalog Number:
AG01DLD6
Chemical Name:
2-(HYDROXYMETHYL)-1-ISOPENTYL-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
CAS Number:
406945-15-1
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
MDL Number:
MFCD26396434
IUPAC Name:
2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carbonitrile
InChI:
InChI=1S/C14H17N3O/c1-10(2)5-6-17-13-4-3-11(8-15)7-12(13)16-14(17)9-18/h3-4,7,10,18H,5-6,9H2,1-2H3
InChI Key:
MVZPTGFGPVKXIG-UHFFFAOYSA-N
SMILES:
OCc1nc2c(n1CCC(C)C)ccc(c2)C#N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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