Name: Name:1,5-diamino-4-(1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one
Brand: Angene
SKU: AG00IF5T
Rating: 90 (10 reviews)

1,5-diamino-4-(1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one

CAS No.:

885457-79-4

Catalog Number:

AG00IF5T

Molecular Formula:

C11H11N5O

Molecular Weight:

229.2379

Catalog Number:

AG00IF5T

Chemical Name:

1,5-diamino-4-(1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one

CAS Number:

885457-79-4

Molecular Formula:

C11H11N5O

Molecular Weight:

229.2379

MDL Number:

MFCD06660598

IUPAC Name:

1-amino-4-(1H-benzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol

InChI:

InChI=1S/C11H11N5O/c12-10-9(8(17)5-16(10)13)11-14-6-3-1-2-4-7(6)15-11/h1-4,12,17H,5,13H2,(H,14,15)

InChI Key:

YSXXXPGIHIHKAD-UHFFFAOYSA-N

SMILES:

NN1CC(=O)C(=C1N)c1nc2c([nH]1)cccc2

Complexity:

380

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.243g/mol

Monoisotopic Mass:

229.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2