4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide

C77H65N23O4 — CID 160543784

IUPAC4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.N#Cc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.Nc1ncc(-c2ccc(C(=O)NCCCO)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccccc2CO)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20N6O2.C20H18N6O.C18H12N6.C18H15N5O/c22-19-18(20-26-15-4-1-2-5-16(15)27-20)25-17(12-24-19)13-6-8-14(9-7-13)21(29)23-10-3-11-28;1-12(27)22-10-13-6-8-14(9-7-13)17-11-23-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20;19-9-11-5-7-12(8-6-11)15-10-21-17(20)16(22-15)18-23-13-3-1-2-4-14(13)24-18;19-17-16(18-22-13-7-3-4-8-14(13)23-18)21-15(9-20-17)12-6-2-1-5-11(12)10-24/h1-2,4-9,12,28H,3,10-11H2,(H2,22,24)(H,23,29)(H,26,27);2-9,11H,10H2,1H3,(H2,21,23)(H,22,27)(H,25,26);1-8,10H,(H2,20,21)(H,23,24);1-9,24H,10H2,(H2,19,20)(H,22,23)
InChIKeyQXDMMGYDSLGJSC-UHFFFAOYSA-N
MW1376.52 g/mol
LogP11.19
Rot. Bonds15

About 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide

4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide (PubChem CID 160543784) has the molecular formula C77H65N23O4 and a molecular weight of 1376.52 g/mol. Its IUPAC name is 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide
PubChem CID160543784
Molecular FormulaC77H65N23O4
Molecular Weight1376.52 g/mol
Exact Mass1375.56
IUPAC Name4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.N#Cc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.Nc1ncc(-c2ccc(C(=O)NCCCO)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccccc2CO)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20N6O2.C20H18N6O.C18H12N6.C18H15N5O/c22-19-18(20-26-15-4-1-2-5-16(15)27-20)25-17(12-24-19)13-6-8-14(9-7-13)21(29)23-10-3-11-28;1-12(27)22-10-13-6-8-14(9-7-13)17-11-23-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20;19-9-11-5-7-12(8-6-11)15-10-21-17(20)16(22-15)18-23-13-3-1-2-4-14(13)24-18;19-17-16(18-22-13-7-3-4-8-14(13)23-18)21-15(9-20-17)12-6-2-1-5-11(12)10-24/h1-2,4-9,12,28H,3,10-11H2,(H2,22,24)(H,23,29)(H,26,27);2-9,11H,10H2,1H3,(H2,21,23)(H,22,27)(H,25,26);1-8,10H,(H2,20,21)(H,23,24);1-9,24H,10H2,(H2,19,20)(H,22,23)
InChIKeyQXDMMGYDSLGJSC-UHFFFAOYSA-N
XLogP11.19
TPSA444.37 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001376.52
LogP ≤ 511.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine;2-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-2-ylethyl)-7H-purin-6-amine;N-[2-[4-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 157755552
5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(2-methyl-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 158427544
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158721288
5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 158976717
4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 158987950
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 159028582
5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 163764179
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 164072767
iron(2+);16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide
CID 20603230
copper 16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide
CID 59111680
16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-4-yl)butyl]-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2,4(9),5,7,10,12,15,18,20,22(27),23,25,28(39),29,31(36),32,34,37(40)-octadecaene-5-carboxamide
CID 136007092
copper 16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5-carboxamide
CID 136007116

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide?
The IUPAC name of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide (CID 160543784) is 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.N#Cc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.Nc1ncc(-c2ccc(C(=O)NCCCO)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccccc2CO)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide?
The InChIKey is QXDMMGYDSLGJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.C20H18N6O.C18H12N6.C18H15N5O/c22-19-18(20-26-15-4-1-2-5-16(15)27-20)25-17(12-24-19)13-6-8-14(9-7-13)21(29)23-10-3-11-28;1-12(27)22-10-13-6-8-14(9-7-13)17-11-23-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20;19-9-11-5-7-12(8-6-11)15-10-21-17(20)16(22-15)18-23-13-3-1-2-4-14(13)24-18;19-17-16(18-22-13-7-3-4-8-14(13)23-18)21-15(9-20-17)12-6-2-1-5-11(12)10-24/h1-2,4-9,12,28H,3,10-11H2,(H2,22,24)(H,23,29)(H,26,27);2-9,11H,10H2,1H3,(H2,21,23)(H,22,27)(H,25,26);1-8,10H,(H2,20,21)(H,23,24);1-9,24H,10H2,(H2,19,20)(H,22,23).
What are the key properties of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide?
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide has a molecular weight of 1376.52 g/mol, XLogP of 11.19, 15 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 160543784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).