2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile

C20H18N6 — CID 118509848

IUPAC2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
SMILESN#Cc1cc2ccc(N3CCCNCC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C20H18N6/c21-13-15-12-14-6-7-18(25-10-3-8-22-9-11-25)24-19(14)26-17-5-2-1-4-16(17)23-20(15)26/h1-2,4-7,12,22H,3,8-11H2
InChIKeyTZEYPNGBPIGFSN-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.71
Rot. Bonds1

About 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile

2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile (PubChem CID 118509848) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
PubChem CID118509848
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
SMILESN#Cc1cc2ccc(N3CCCNCC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C20H18N6/c21-13-15-12-14-6-7-18(25-10-3-8-22-9-11-25)24-19(14)26-17-5-2-1-4-16(17)23-20(15)26/h1-2,4-7,12,22H,3,8-11H2
InChIKeyTZEYPNGBPIGFSN-UHFFFAOYSA-N
XLogP2.71
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine
CID 152633528
10-piperazin-1-yl-11,18-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(18),2,9,12,14,16-hexaene-2-carbonitrile
CID 71274897
16-piperazin-1-yl-13-oxa-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 71274908
2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
CID 118509849
2-(4,4-dimethylpiperazin-4-ium-1-yl)benzimidazolo[1,2-a]quinoline-6-carbonitrile iodide
CID 90667029
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
2-(propan-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 134135496
3-methyl-1-piperazin-1-yl-2-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71274889
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
N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509929

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile?
The IUPAC name of 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile (CID 118509848) is 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile?
The canonical SMILES for 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile is N#Cc1cc2ccc(N3CCCNCC3)nc2n2c1nc1ccccc12.
What is the InChIKey of 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile?
The InChIKey is TZEYPNGBPIGFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c21-13-15-12-14-6-7-18(25-10-3-8-22-9-11-25)24-19(14)26-17-5-2-1-4-16(17)23-20(15)26/h1-2,4-7,12,22H,3,8-11H2.
What are the key properties of 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile?
2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile has a molecular weight of 342.41 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile is sourced from PubChem (CID 118509848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).