Name: Name:1H-Benzimidazole-6-carbonitrile,2-amino-1-methyl-(9CI)
Brand: Angene
SKU: AG00A12X
Rating: 90 (10 reviews)

1H-Benzimidazole-6-carbonitrile,2-amino-1-methyl-(9CI)

CAS No.:

141691-42-1

Catalog Number:

AG00A12X

Molecular Formula:

C9H8N4

Molecular Weight:

172.1866

Catalog Number:

AG00A12X

Chemical Name:

1H-Benzimidazole-6-carbonitrile,2-amino-1-methyl-(9CI)

CAS Number:

141691-42-1

Molecular Formula:

C9H8N4

Molecular Weight:

172.1866

MDL Number:

MFCD01658321

IUPAC Name:

2-amino-3-methylbenzimidazole-5-carbonitrile

InChI:

InChI=1S/C9H8N4/c1-13-8-4-6(5-10)2-3-7(8)12-9(13)11/h2-4H,1H3,(H2,11,12)

InChI Key:

CNGVAAVGGINQTB-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)n(C)c(n2)N

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.191g/mol

Monoisotopic Mass:

172.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3