N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide

C76H65BrClN19O5S — CID 158860775

IUPACN-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cc(CCC4CC4)ncn3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cccc(Br)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cccc(Cl)c4)n3)c2c1.C=CS(=O)(=O)Nc1ccc2ncn(-c3cc(CCc4ccccc4)ncn3)c2c1
InChIInChI=1S/C21H16ClN5O.C21H19N5O2S.C19H19N5O.C15H11BrN4O/c1-2-21(28)26-16-6-7-18-19(10-16)27(13-24-18)20-12-23-11-17(25-20)9-14-4-3-5-15(22)8-14;1-2-29(27,28)25-18-10-11-19-20(12-18)26(15-24-19)21-13-17(22-14-23-21)9-8-16-6-4-3-5-7-16;1-2-19(25)23-15-7-8-16-17(9-15)24(12-22-16)18-10-14(20-11-21-18)6-5-13-3-4-13;1-2-15(21)18-10-6-7-11-12(8-10)20(9-17-11)14-5-3-4-13(16)19-14/h2-8,10-13H,1,9H2,(H,26,28);2-7,10-15,25H,1,8-9H2;2,7-13H,1,3-6H2,(H,23,25);2-9H,1H2,(H,18,21)
InChIKeyJAPWTBQPRSTYEW-UHFFFAOYSA-N
MW1471.91 g/mol
LogP14.26
Rot. Bonds21

About N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide

N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide (PubChem CID 158860775) has the molecular formula C76H65BrClN19O5S and a molecular weight of 1471.91 g/mol. Its IUPAC name is N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide
PubChem CID158860775
Molecular FormulaC76H65BrClN19O5S
Molecular Weight1471.91 g/mol
Exact Mass1469.40
IUPAC NameN-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cc(CCC4CC4)ncn3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cccc(Br)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cccc(Cl)c4)n3)c2c1.C=CS(=O)(=O)Nc1ccc2ncn(-c3cc(CCc4ccccc4)ncn3)c2c1
InChIInChI=1S/C21H16ClN5O.C21H19N5O2S.C19H19N5O.C15H11BrN4O/c1-2-21(28)26-16-6-7-18-19(10-16)27(13-24-18)20-12-23-11-17(25-20)9-14-4-3-5-15(22)8-14;1-2-29(27,28)25-18-10-11-19-20(12-18)26(15-24-19)21-13-17(22-14-23-21)9-8-16-6-4-3-5-7-16;1-2-19(25)23-15-7-8-16-17(9-15)24(12-22-16)18-10-14(20-11-21-18)6-5-13-3-4-13;1-2-15(21)18-10-6-7-11-12(8-10)20(9-17-11)14-5-3-4-13(16)19-14/h2-8,10-13H,1,9H2,(H,26,28);2-7,10-15,25H,1,8-9H2;2,7-13H,1,3-6H2,(H,23,25);2-9H,1H2,(H,18,21)
InChIKeyJAPWTBQPRSTYEW-UHFFFAOYSA-N
XLogP14.26
TPSA294.98 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.91
LogP ≤ 514.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide with MolForge

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Related Compounds

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
N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide
CID 58217156
N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 58217134
3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-amine;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 159480517
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783930
N-[3-[6-[[(2S)-butan-2-yl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 11416423
N-[3-[6-(3-methoxyanilino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783946
3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine
CID 58217151
3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-amine;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-2-methylprop-2-enamide
CID 160696003
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
CID 10026029
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide?
The IUPAC name of N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide (CID 158860775) is N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide.
What is the SMILES notation for N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide?
The canonical SMILES for N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide is C=CC(=O)Nc1ccc2ncn(-c3cc(CCC4CC4)ncn3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cccc(Br)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(Cc4cccc(Cl)c4)n3)c2c1.C=CS(=O)(=O)Nc1ccc2ncn(-c3cc(CCc4ccccc4)ncn3)c2c1.
What is the InChIKey of N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide?
The InChIKey is JAPWTBQPRSTYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O.C21H19N5O2S.C19H19N5O.C15H11BrN4O/c1-2-21(28)26-16-6-7-18-19(10-16)27(13-24-18)20-12-23-11-17(25-20)9-14-4-3-5-15(22)8-14;1-2-29(27,28)25-18-10-11-19-20(12-18)26(15-24-19)21-13-17(22-14-23-21)9-8-16-6-4-3-5-7-16;1-2-19(25)23-15-7-8-16-17(9-15)24(12-22-16)18-10-14(20-11-21-18)6-5-13-3-4-13;1-2-15(21)18-10-6-7-11-12(8-10)20(9-17-11)14-5-3-4-13(16)19-14/h2-8,10-13H,1,9H2,(H,26,28);2-7,10-15,25H,1,8-9H2;2,7-13H,1,3-6H2,(H,23,25);2-9H,1H2,(H,18,21).
What are the key properties of N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide?
N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide has a molecular weight of 1471.91 g/mol, XLogP of 14.26, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-bromo-2-pyridinyl)benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-cyclopropylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]ethenesulfonamide is sourced from PubChem (CID 158860775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).