3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide

C62H80N12O8 — CID 173249118

IUPAC3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ncc[nH]2)cc(C(C)(C)C)c1O.Cc1cc(C(=O)Nc2ncc[nH]2)cc(C)c1O.Cc1cc(C(=O)Nc2nccn2C)cc(C)c1O.Cn1ccnc1NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H27N3O2.C18H25N3O2.C13H15N3O2.C12H13N3O2/c1-18(2,3)13-10-12(11-14(15(13)23)19(4,5)6)16(24)21-17-20-8-9-22(17)7;1-17(2,3)12-9-11(10-13(14(12)22)18(4,5)6)15(23)21-16-19-7-8-20-16;1-8-6-10(7-9(2)11(8)17)12(18)15-13-14-4-5-16(13)3;1-7-5-9(6-8(2)10(7)16)11(17)15-12-13-3-4-14-12/h8-11,23H,1-7H3,(H,20,21,24);7-10,22H,1-6H3,(H2,19,20,21,23);4-7,17H,1-3H3,(H,14,15,18);3-6,16H,1-2H3,(H2,13,14,15,17)
InChIKeyIPKVNRXWYKIDTR-UHFFFAOYSA-N
MW1121.40 g/mol
LogP11.91
Rot. Bonds8

About 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide

3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide (PubChem CID 173249118) has the molecular formula C62H80N12O8 and a molecular weight of 1121.40 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide
PubChem CID173249118
Molecular FormulaC62H80N12O8
Molecular Weight1121.40 g/mol
Exact Mass1120.62
IUPAC Name3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ncc[nH]2)cc(C(C)(C)C)c1O.Cc1cc(C(=O)Nc2ncc[nH]2)cc(C)c1O.Cc1cc(C(=O)Nc2nccn2C)cc(C)c1O.Cn1ccnc1NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H27N3O2.C18H25N3O2.C13H15N3O2.C12H13N3O2/c1-18(2,3)13-10-12(11-14(15(13)23)19(4,5)6)16(24)21-17-20-8-9-22(17)7;1-17(2,3)12-9-11(10-13(14(12)22)18(4,5)6)15(23)21-16-19-7-8-20-16;1-8-6-10(7-9(2)11(8)17)12(18)15-13-14-4-5-16(13)3;1-7-5-9(6-8(2)10(7)16)11(17)15-12-13-3-4-14-12/h8-11,23H,1-7H3,(H,20,21,24);7-10,22H,1-6H3,(H2,19,20,21,23);4-7,17H,1-3H3,(H,14,15,18);3-6,16H,1-2H3,(H2,13,14,15,17)
InChIKeyIPKVNRXWYKIDTR-UHFFFAOYSA-N
XLogP11.91
TPSA290.32 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001121.40
LogP ≤ 511.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide?
The IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide (CID 173249118) is 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide?
The canonical SMILES for 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide is CC(C)(C)c1cc(C(=O)Nc2ncc[nH]2)cc(C(C)(C)C)c1O.Cc1cc(C(=O)Nc2ncc[nH]2)cc(C)c1O.Cc1cc(C(=O)Nc2nccn2C)cc(C)c1O.Cn1ccnc1NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide?
The InChIKey is IPKVNRXWYKIDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.C18H25N3O2.C13H15N3O2.C12H13N3O2/c1-18(2,3)13-10-12(11-14(15(13)23)19(4,5)6)16(24)21-17-20-8-9-22(17)7;1-17(2,3)12-9-11(10-13(14(12)22)18(4,5)6)15(23)21-16-19-7-8-20-16;1-8-6-10(7-9(2)11(8)17)12(18)15-13-14-4-5-16(13)3;1-7-5-9(6-8(2)10(7)16)11(17)15-12-13-3-4-14-12/h8-11,23H,1-7H3,(H,20,21,24);7-10,22H,1-6H3,(H2,19,20,21,23);4-7,17H,1-3H3,(H,14,15,18);3-6,16H,1-2H3,(H2,13,14,15,17).
What are the key properties of 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide?
3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide has a molecular weight of 1121.40 g/mol, XLogP of 11.91, 8 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 173249118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).