Name: Name:13-(3,4-dimethylphenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile
Brand: Angene
SKU: AG019P1H
Rating: 90 (10 reviews)

13-(3,4-dimethylphenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

CAS No.:

730997-93-0

Catalog Number:

AG019P1H

Molecular Formula:

C21H17N3

Molecular Weight:

311.3798

Catalog Number:

AG019P1H

Chemical Name:

13-(3,4-dimethylphenyl)-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

CAS Number:

730997-93-0

Molecular Formula:

C21H17N3

Molecular Weight:

311.3798

MDL Number:

MFCD04624850

IUPAC Name:

1-(3,4-dimethylphenyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

InChI:

InChI=1S/C21H17N3/c1-13-8-9-16(10-14(13)2)20-11-15(3)17(12-22)21-23-18-6-4-5-7-19(18)24(20)21/h4-11H,1-3H3

InChI Key:

HSWPLVLKZXWNJS-UHFFFAOYSA-N

SMILES:

N#Cc1c(C)cc(n2c1nc1c2cccc1)c1ccc(c(c1)C)C

Complexity:

509

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.388g/mol

Monoisotopic Mass:

311.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.7