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832102-80-4 | 1H-Benzimidazol-2-amine, N-methyl-5-nitro-N-[2-(1-pyrrolidinyl)ethyl]-
CAS No: 832102-80-4 Catalog No: AG004UZB MDL No:
Product Description
Catalog Number:
AG004UZB
Chemical Name:
1H-Benzimidazol-2-amine, N-methyl-5-nitro-N-[2-(1-pyrrolidinyl)ethyl]-
CAS Number:
832102-80-4
Molecular Formula:
C14H19N5O2
Molecular Weight:
289.3330
IUPAC Name:
N-methyl-6-nitro-N-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-amine
InChI:
InChI=1S/C14H19N5O2/c1-17(8-9-18-6-2-3-7-18)14-15-12-5-4-11(19(20)21)10-13(12)16-14/h4-5,10H,2-3,6-9H2,1H3,(H,15,16)
InChI Key:
SVQXWEDLLNBSSF-UHFFFAOYSA-N
SMILES:
CN(c1nc2c([nH]1)ccc(c2)[N+](=O)[O-])CCN1CCCC1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.339g/mol
Monoisotopic Mass:
289.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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