(E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide

C98H97N21O14 — CID 161144866

IUPAC(E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide
SMILESCc1nc2cc(/C=C/C(=O)NO)ccc2n1C.Cn1c(CCCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.Cn1c(CNC(=O)Cc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.Cn1c(CNC(=O)c2ccncc2)nc2cc(/C=C/C(=O)NO)ccc21.O=C(/C=C/c1ccc2nc(CCc3ccccc3)[nH]c2c1)NO.O=C(/C=C/c1ccc2nc[nH]c2c1)NO
InChIInChI=1S/C20H20N4O3.C20H21N3O2.C18H17N5O3.C18H17N3O2.C12H13N3O2.C10H9N3O2/c1-24-17-9-7-15(8-10-19(25)23-27)11-16(17)22-18(24)13-21-20(26)12-14-5-3-2-4-6-14;1-23-18-12-10-16(11-13-20(24)22-25)14-17(18)21-19(23)9-5-8-15-6-3-2-4-7-15;1-23-15-4-2-12(3-5-17(24)22-26)10-14(15)21-16(23)11-20-18(25)13-6-8-19-9-7-13;22-18(21-23)11-8-14-6-9-15-16(12-14)20-17(19-15)10-7-13-4-2-1-3-5-13;1-8-13-10-7-9(4-6-12(16)14-17)3-5-11(10)15(8)2;14-10(13-15)4-2-7-1-3-8-9(5-7)12-6-11-8/h2-11,27H,12-13H2,1H3,(H,21,26)(H,23,25);2-4,6-7,10-14,25H,5,8-9H2,1H3,(H,22,24);2-10,26H,11H2,1H3,(H,20,25)(H,22,24);1-6,8-9,11-12,23H,7,10H2,(H,19,20)(H,21,22);3-7,17H,1-2H3,(H,14,16);1-6,15H,(H,11,12)(H,13,14)/b10-8+;13-11+;5-3+;11-8+;6-4+;4-2+
InChIKeyUNXKKKUBULVANN-GXFMUISMSA-N
MW1792.99 g/mol
LogP11.98
Rot. Bonds26

About (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide

(E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide (PubChem CID 161144866) has the molecular formula C98H97N21O14 and a molecular weight of 1792.99 g/mol. Its IUPAC name is (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide
PubChem CID161144866
Molecular FormulaC98H97N21O14
Molecular Weight1792.99 g/mol
Exact Mass1791.75
IUPAC Name(E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide
SMILESCc1nc2cc(/C=C/C(=O)NO)ccc2n1C.Cn1c(CCCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.Cn1c(CNC(=O)Cc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.Cn1c(CNC(=O)c2ccncc2)nc2cc(/C=C/C(=O)NO)ccc21.O=C(/C=C/c1ccc2nc(CCc3ccccc3)[nH]c2c1)NO.O=C(/C=C/c1ccc2nc[nH]c2c1)NO
InChIInChI=1S/C20H20N4O3.C20H21N3O2.C18H17N5O3.C18H17N3O2.C12H13N3O2.C10H9N3O2/c1-24-17-9-7-15(8-10-19(25)23-27)11-16(17)22-18(24)13-21-20(26)12-14-5-3-2-4-6-14;1-23-18-12-10-16(11-13-20(24)22-25)14-17(18)21-19(23)9-5-8-15-6-3-2-4-7-15;1-23-15-4-2-12(3-5-17(24)22-26)10-14(15)21-16(23)11-20-18(25)13-6-8-19-9-7-13;22-18(21-23)11-8-14-6-9-15-16(12-14)20-17(19-15)10-7-13-4-2-1-3-5-13;1-8-13-10-7-9(4-6-12(16)14-17)3-5-11(10)15(8)2;14-10(13-15)4-2-7-1-3-8-9(5-7)12-6-11-8/h2-11,27H,12-13H2,1H3,(H,21,26)(H,23,25);2-4,6-7,10-14,25H,5,8-9H2,1H3,(H,22,24);2-10,26H,11H2,1H3,(H,20,25)(H,22,24);1-6,8-9,11-12,23H,7,10H2,(H,19,20)(H,21,22);3-7,17H,1-2H3,(H,14,16);1-6,15H,(H,11,12)(H,13,14)/b10-8+;13-11+;5-3+;11-8+;6-4+;4-2+
InChIKeyUNXKKKUBULVANN-GXFMUISMSA-N
XLogP11.98
TPSA495.71 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001792.99
LogP ≤ 511.98
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide (CID 161144866) is (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide is Cc1nc2cc(/C=C/C(=O)NO)ccc2n1C.Cn1c(CCCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.Cn1c(CNC(=O)Cc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.Cn1c(CNC(=O)c2ccncc2)nc2cc(/C=C/C(=O)NO)ccc21.O=C(/C=C/c1ccc2nc(CCc3ccccc3)[nH]c2c1)NO.O=C(/C=C/c1ccc2nc[nH]c2c1)NO.
What is the InChIKey of (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide?
The InChIKey is UNXKKKUBULVANN-GXFMUISMSA-N. The full InChI is InChI=1S/C20H20N4O3.C20H21N3O2.C18H17N5O3.C18H17N3O2.C12H13N3O2.C10H9N3O2/c1-24-17-9-7-15(8-10-19(25)23-27)11-16(17)22-18(24)13-21-20(26)12-14-5-3-2-4-6-14;1-23-18-12-10-16(11-13-20(24)22-25)14-17(18)21-19(23)9-5-8-15-6-3-2-4-7-15;1-23-15-4-2-12(3-5-17(24)22-26)10-14(15)21-16(23)11-20-18(25)13-6-8-19-9-7-13;22-18(21-23)11-8-14-6-9-15-16(12-14)20-17(19-15)10-7-13-4-2-1-3-5-13;1-8-13-10-7-9(4-6-12(16)14-17)3-5-11(10)15(8)2;14-10(13-15)4-2-7-1-3-8-9(5-7)12-6-11-8/h2-11,27H,12-13H2,1H3,(H,21,26)(H,23,25);2-4,6-7,10-14,25H,5,8-9H2,1H3,(H,22,24);2-10,26H,11H2,1H3,(H,20,25)(H,22,24);1-6,8-9,11-12,23H,7,10H2,(H,19,20)(H,21,22);3-7,17H,1-2H3,(H,14,16);1-6,15H,(H,11,12)(H,13,14)/b10-8+;13-11+;5-3+;11-8+;6-4+;4-2+.
What are the key properties of (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide?
(E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide has a molecular weight of 1792.99 g/mol, XLogP of 11.98, 26 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3H-benzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;N-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]methyl]pyridine-4-carboxamide;(E)-N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 161144866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).