2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile

C19H16N4 — CID 134135496

IUPAC2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile
SMILESCC(C)Nc1ccc2cc(C#N)c3nc4ccccc4n3c2c1
InChIInChI=1S/C19H16N4/c1-12(2)21-15-8-7-13-9-14(11-20)19-22-16-5-3-4-6-17(16)23(19)18(13)10-15/h3-10,12,21H,1-2H3
InChIKeyMZBHMLIXLGEDAO-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.33
Rot. Bonds2

About 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile

2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile (PubChem CID 134135496) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile
PubChem CID134135496
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile
SMILESCC(C)Nc1ccc2cc(C#N)c3nc4ccccc4n3c2c1
InChIInChI=1S/C19H16N4/c1-12(2)21-15-8-7-13-9-14(11-20)19-22-16-5-3-4-6-17(16)23(19)18(13)10-15/h3-10,12,21H,1-2H3
InChIKeyMZBHMLIXLGEDAO-UHFFFAOYSA-N
XLogP4.33
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(dimethylamino)propylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 90667022
2-(4,4-dimethylpiperazin-4-ium-1-yl)benzimidazolo[1,2-a]quinoline-6-carbonitrile iodide
CID 90667029
1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 161329492
2,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,9,11,14,16,18-nonaene-11-carbonitrile
CID 169224034
2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
CID 118509848
4-(4-methylpiperazin-1-yl)-1,3,6,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carbonitrile
CID 118509916
4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide
CID 19259232
2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
CID 118509849
1-(1-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 142668218
3-methyl-1-(1-methylsulfanylpropan-2-ylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133311885
1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 935605
1-iodo-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 88919839

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile?
The IUPAC name of 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile (CID 134135496) is 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile.
What is the SMILES notation for 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile?
The canonical SMILES for 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile is CC(C)Nc1ccc2cc(C#N)c3nc4ccccc4n3c2c1.
What is the InChIKey of 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile?
The InChIKey is MZBHMLIXLGEDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-12(2)21-15-8-7-13-9-14(11-20)19-22-16-5-3-4-6-17(16)23(19)18(13)10-15/h3-10,12,21H,1-2H3.
What are the key properties of 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile?
2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile has a molecular weight of 300.37 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile is sourced from PubChem (CID 134135496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).