(3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

C17H11N5S — CID 911778

IUPAC(3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
SMILESN#CC1=C(N)N2C(=C(C#N)[C@@H]1c1cccs1)Nc1ccccc12
InChIInChI=1S/C17H11N5S/c18-8-10-15(14-6-3-7-23-14)11(9-19)17-21-12-4-1-2-5-13(12)22(17)16(10)20/h1-7,15,21H,20H2/t15-/m1/s1
InChIKeyIXVLKFPDEYNBBG-OAHLLOKOSA-N
MW317.38 g/mol
LogP3.21
Rot. Bonds1

About (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

(3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile (PubChem CID 911778) has the molecular formula C17H11N5S and a molecular weight of 317.38 g/mol. Its IUPAC name is (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile.

Molecular Properties

Compound Name(3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
PubChem CID911778
Molecular FormulaC17H11N5S
Molecular Weight317.38 g/mol
Exact Mass317.07
IUPAC Name(3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
SMILESN#CC1=C(N)N2C(=C(C#N)[C@@H]1c1cccs1)Nc1ccccc12
InChIInChI=1S/C17H11N5S/c18-8-10-15(14-6-3-7-23-14)11(9-19)17-21-12-4-1-2-5-13(12)22(17)16(10)20/h1-7,15,21H,20H2/t15-/m1/s1
InChIKeyIXVLKFPDEYNBBG-OAHLLOKOSA-N
XLogP3.21
TPSA88.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-amino-3-thiophen-3-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 911745
(3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 909835
(3S)-1-amino-3-(4-chlorophenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 911388
5-amino-4-(4-fluorophenyl)-1,1-dioxo-7-thiophen-2-yl-3,7-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile
CID 5294867
2-amino-5-oxo-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126478188
6-amino-1-phenyl-2-sulfanylidene-3-(thiophene-2-carbonyl)-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile
CID 134923618
4-(2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)benzonitrile
CID 115285684
(4R)-2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 40829818
(4R)-2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1036845
5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
CID 5123168
3,9-diamino-1,7-dithiophen-2-yl-1,7-dihydrochromeno[8,7-h]chromene-2,8-dicarbonitrile
CID 162787983
(3S)-1-amino-3-pyridin-4-yl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
CID 867906

Frequently Asked Questions

What is the IUPAC name of (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The IUPAC name of (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile (CID 911778) is (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile.
What is the SMILES notation for (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The canonical SMILES for (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile is N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1cccs1)Nc1ccccc12.
What is the InChIKey of (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The InChIKey is IXVLKFPDEYNBBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H11N5S/c18-8-10-15(14-6-3-7-23-14)11(9-19)17-21-12-4-1-2-5-13(12)22(17)16(10)20/h1-7,15,21H,20H2/t15-/m1/s1.
What are the key properties of (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
(3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile has a molecular weight of 317.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile is sourced from PubChem (CID 911778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).