200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 128579-70-4
128579-70-4 | Carbamic acid, [5-[(4-methyl-1-piperidinyl)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester (9CI)
CAS No: 128579-70-4 Catalog No: AG000Y7I MDL No:
Product Description
Catalog Number:
AG000Y7I
Chemical Name:
Carbamic acid, [5-[(4-methyl-1-piperidinyl)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester (9CI)
CAS Number:
128579-70-4
Molecular Formula:
C16H20N4O3
Molecular Weight:
316.3550
IUPAC Name:
methyl N-[6-(4-methylpiperidine-1-carbonyl)-1H-benzimidazol-2-yl]carbamate
InChI:
InChI=1S/C16H20N4O3/c1-10-5-7-20(8-6-10)14(21)11-3-4-12-13(9-11)18-15(17-12)19-16(22)23-2/h3-4,9-10H,5-8H2,1-2H3,(H2,17,18,19,22)
InChI Key:
UTWWDXILWODSED-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)N1CCC(CC1)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.154g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.361g/mol
Monoisotopic Mass:
316.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.