N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide

C89H76Cl2N20O5 — CID 157394283

IUPACN-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4c(C)cccc4C)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4c(C)cccc4Cl)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cc(Cl)ccc4C)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cccc(OC)c4)n3)c2c1
InChIInChI=1S/C23H21N5O.2C22H18ClN5O.C22H19N5O2/c1-4-23(29)27-17-8-9-20-21(11-17)28(14-25-20)22-13-24-12-18(26-22)10-19-15(2)6-5-7-16(19)3;1-3-22(29)27-17-6-7-19-20(10-17)28(13-25-19)21-12-24-11-18(26-21)9-15-8-16(23)5-4-14(15)2;1-3-22(29)27-15-7-8-19-20(10-15)28(13-25-19)21-12-24-11-16(26-21)9-17-14(2)5-4-6-18(17)23;1-3-22(28)26-16-7-8-19-20(11-16)27(14-24-19)21-13-23-12-17(25-21)9-15-5-4-6-18(10-15)29-2/h4-9,11-14H,1,10H2,2-3H3,(H,27,29);2*3-8,10-13H,1,9H2,2H3,(H,27,29);3-8,10-14H,1,9H2,2H3,(H,26,28)
InChIKeyBMJPOVQOGAORMQ-UHFFFAOYSA-N
MW1576.63 g/mol
LogP16.67
Rot. Bonds21

About N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide

N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide (PubChem CID 157394283) has the molecular formula C89H76Cl2N20O5 and a molecular weight of 1576.63 g/mol. Its IUPAC name is N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
PubChem CID157394283
Molecular FormulaC89H76Cl2N20O5
Molecular Weight1576.63 g/mol
Exact Mass1574.57
IUPAC NameN-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4c(C)cccc4C)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4c(C)cccc4Cl)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cc(Cl)ccc4C)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cccc(OC)c4)n3)c2c1
InChIInChI=1S/C23H21N5O.2C22H18ClN5O.C22H19N5O2/c1-4-23(29)27-17-8-9-20-21(11-17)28(14-25-20)22-13-24-12-18(26-22)10-19-15(2)6-5-7-16(19)3;1-3-22(29)27-17-6-7-19-20(10-17)28(13-25-19)21-12-24-11-18(26-21)9-15-8-16(23)5-4-14(15)2;1-3-22(29)27-15-7-8-19-20(10-15)28(13-25-19)21-12-24-11-16(26-21)9-17-14(2)5-4-6-18(17)23;1-3-22(28)26-16-7-8-19-20(11-16)27(14-24-19)21-13-23-12-17(25-21)9-15-5-4-6-18(10-15)29-2/h4-9,11-14H,1,10H2,2-3H3,(H,27,29);2*3-8,10-13H,1,9H2,2H3,(H,27,29);3-8,10-14H,1,9H2,2H3,(H,26,28)
InChIKeyBMJPOVQOGAORMQ-UHFFFAOYSA-N
XLogP16.67
TPSA300.03 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.63
LogP ≤ 516.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide with MolForge

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Related Compounds

N-[2-[[4-(2,6-dichloro-3-ethyl-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 138599277
2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
CID 157458375
N-benzyl-N-methylpyridin-2-amine;1-chloro-4-(1-phenylethyl)benzene;5-chloro-2-prop-1-en-2-yl-1H-indole;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine
CID 157492138
N-[3-[4-(tert-butylamino)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(5-chloro-2-methylanilino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,6-dimethylanilino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(3-methoxyanilino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-methylanilino)pyrazin-2-yl]benzimidazol-5-yl]but-2-ynamide;N-[3-[6-(2-methylanilino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 157584618
N-[3-(6-anilinopyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[[(2S)-butan-2-yl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[[(2R)-butan-2-yl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-yl]but-2-ynamide;N-[3-[6-(dimethylamino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(ethylamino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(3-methoxy-4,5-dimethylanilino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide
CID 157652901
3-(3-Chlorophenyl)-1-phenylimidazo[1,5-a]pyridine;1-(3-methoxyphenyl)-3-(4-methylphenyl)imidazo[1,5-a]pyridine;1-methyl-3,7-diphenylimidazo[1,5-a]pyridine;1,3,5,7-tetraphenylimidazo[1,5-a]pyridine
CID 157847533
N-[5-[[4-(3-chloroindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-2-methylprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]pent-2-enamide
CID 158220880
N-[5-[[5-chloro-4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-cyclopropyl-3H-inden-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(1-cyclopropyl-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyclopropyl-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxy-1-methylindol-3-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 158313916
1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 158502941
1-[(2S)-2-[1-(2-chloro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2,3-dimethylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 158562465
N-[5-[[5-chloro-4-(6-methoxy-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(6-ethenyl-1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxy-3H-inden-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxy-1-methylindol-3-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 158605772
[4-[[6-(2-Chlorophenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
CID 158686447

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide (CID 157394283) is N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4c(C)cccc4C)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4c(C)cccc4Cl)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cc(Cl)ccc4C)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cccc(OC)c4)n3)c2c1.
What is the InChIKey of N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The InChIKey is BMJPOVQOGAORMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.2C22H18ClN5O.C22H19N5O2/c1-4-23(29)27-17-8-9-20-21(11-17)28(14-25-20)22-13-24-12-18(26-22)10-19-15(2)6-5-7-16(19)3;1-3-22(29)27-17-6-7-19-20(10-17)28(13-25-19)21-12-24-11-18(26-21)9-15-8-16(23)5-4-14(15)2;1-3-22(29)27-15-7-8-19-20(10-15)28(13-25-19)21-12-24-11-16(26-21)9-17-14(2)5-4-6-18(17)23;1-3-22(28)26-16-7-8-19-20(11-16)27(14-24-19)21-13-23-12-17(25-21)9-15-5-4-6-18(10-15)29-2/h4-9,11-14H,1,10H2,2-3H3,(H,27,29);2*3-8,10-13H,1,9H2,2H3,(H,27,29);3-8,10-14H,1,9H2,2H3,(H,26,28).
What are the key properties of N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide has a molecular weight of 1576.63 g/mol, XLogP of 16.67, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(2-chloro-6-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(5-chloro-2-methylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2,6-dimethylphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-methoxyphenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 157394283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).