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Home > Imidazoles > 1422069-29-1
1422069-29-1 | 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide
CAS No: 1422069-29-1 Catalog No: AG01DIIR MDL No:
Product Description
Catalog Number:
AG01DIIR
Chemical Name:
1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide
CAS Number:
1422069-29-1
Molecular Formula:
C13H18N6O
Molecular Weight:
274.3216
IUPAC Name:
1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide
InChI:
InChI=1S/C13H18N6O/c1-18-6-5-15-12(18)13(20)17-9-10-8-16-11-2-3-14-4-7-19(10)11/h5-6,8,14H,2-4,7,9H2,1H3,(H,17,20)
InChI Key:
RZMSTCJUUSXUKI-UHFFFAOYSA-N
SMILES:
O=C(c1nccn1C)NCc1cnc2n1CCNCC2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.328g/mol
Monoisotopic Mass:
274.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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