N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide

C98H94N26O5 — CID 158395067

About N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide

N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 158395067) has the molecular formula C98H94N26O5 and a molecular weight of 1716.01 g/mol. Its IUPAC name is N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide
• PubChem CID: 158395067
• Molecular Formula: C98H94N26O5
• Molecular Weight: 1716.01 g/mol
• Exact Mass: 1714.79
• IUPAC Name: N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide
• SMILES: C#CC(=O)Nc1ccc2ncn(-c3cncc(CC(C)(C)C)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cc(CCc4ccccc4)ncn3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cc(N(CC)CC)ncn3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(-c4ccccc4)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(CC(C)(C)C)n3)c2c1
• InChI: InChI=1S/C22H19N5O.C20H15N5O.C19H21N5O.C19H19N5O.C18H20N6O/c1-2-22(28)26-18-10-11-19-20(12-18)27(15-25-19)21-13-17(23-14-24-21)9-8-16-6-4-3-5-7-16;1-2-20(26)23-15-8-9-16-18(10-15)25(13-22-16)19-12-21-11-17(24-19)14-6-4-3-5-7-14;2*1-5-18(25)23-13-6-7-15-16(8-13)24(12-21-15)17-11-20-10-14(22-17)9-19(2,3)4;1-4-18(25)22-13-7-8-14-15(9-13)24(12-21-14)17-10-16(19-11-20-17)23(5-2)6-3/h2-7,10-15H,1,8-9H2,(H,26,28);2-13H,1H2,(H,23,26);5-8,10-12H,1,9H2,2-4H3,(H,23,25);1,6-8,10-12H,9H2,2-4H3,(H,23,25);4,7-12H,1,5-6H2,2-3H3,(H,22,25)
• InChIKey: GXLHCSCJCCZBIM-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 366.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1716.01
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide?

The IUPAC name of N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide (CID 158395067) is N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide.

What is the SMILES notation for N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide?

The canonical SMILES for N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide is C#CC(=O)Nc1ccc2ncn(-c3cncc(CC(C)(C)C)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cc(CCc4ccccc4)ncn3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cc(N(CC)CC)ncn3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(-c4ccccc4)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(CC(C)(C)C)n3)c2c1.

What is the InChIKey of N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide?

The InChIKey is GXLHCSCJCCZBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O.C20H15N5O.C19H21N5O.C19H19N5O.C18H20N6O/c1-2-22(28)26-18-10-11-19-20(12-18)27(15-25-19)21-13-17(23-14-24-21)9-8-16-6-4-3-5-7-16;1-2-20(26)23-15-8-9-16-18(10-15)25(13-22-16)19-12-21-11-17(24-19)14-6-4-3-5-7-14;2*1-5-18(25)23-13-6-7-15-16(8-13)24(12-21-15)17-11-20-10-14(22-17)9-19(2,3)4;1-4-18(25)22-13-7-8-14-15(9-13)24(12-21-14)17-10-16(19-11-20-17)23(5-2)6-3/h2-7,10-15H,1,8-9H2,(H,26,28);2-13H,1H2,(H,23,26);5-8,10-12H,1,9H2,2-4H3,(H,23,25);1,6-8,10-12H,9H2,2-4H3,(H,23,25);4,7-12H,1,5-6H2,2-3H3,(H,22,25).

What are the key properties of N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide?

N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 1716.01 g/mol, XLogP of 16.62, 23 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 158395067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).