5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one

C127H169N17O11 — CID 157061711

IUPAC5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2C1CC1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)Cn1c(=O)[nH]c2cc(C(C)(C)C)ccc21.CC(C)n1c(=O)[nH]c2cc(C(C)(C)C)ccc21.Cn1c(=O)[nH]c2cc(C(C)(C)C)ccc21.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C15H22N2O.C14H18N2O.C14H20N2O.2C13H18N2O.C12H16N2O.2C12H15NO.C11H14N2O.C11H13NO2/c1-10(2)9-17-13-7-6-11(15(3,4)5)8-12(13)16-14(17)18;1-14(2,3)9-4-7-12-11(8-9)15-13(17)16(12)10-5-6-10;1-9(2)16-12-7-6-10(14(3,4)5)8-11(12)15-13(16)17;2*1-13(2,3)9-6-7-10-11(8-9)15(5)12(16)14(10)4;1-12(2,3)8-5-6-10-9(7-8)13-11(15)14(10)4;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9/h6-8,10H,9H2,1-5H3,(H,16,18);4,7-8,10H,5-6H2,1-3H3,(H,15,17);6-9H,1-5H3,(H,15,17);2*6-8H,1-5H3;5-7H,1-4H3,(H,13,15);4-5,7H,6H2,1-3H3,(H,13,14);4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H2,12,13,14);4-6H,1-3H3,(H,12,13)
InChIKeyABKDXECQNZOLSW-UHFFFAOYSA-N
MW2109.86 g/mol
LogP25.50
Rot. Bonds4

About 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one

5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 157061711) has the molecular formula C127H169N17O11 and a molecular weight of 2109.86 g/mol. Its IUPAC name is 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID157061711
Molecular FormulaC127H169N17O11
Molecular Weight2109.86 g/mol
Exact Mass2108.32
IUPAC Name5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2C1CC1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)Cn1c(=O)[nH]c2cc(C(C)(C)C)ccc21.CC(C)n1c(=O)[nH]c2cc(C(C)(C)C)ccc21.Cn1c(=O)[nH]c2cc(C(C)(C)C)ccc21.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C15H22N2O.C14H18N2O.C14H20N2O.2C13H18N2O.C12H16N2O.2C12H15NO.C11H14N2O.C11H13NO2/c1-10(2)9-17-13-7-6-11(15(3,4)5)8-12(13)16-14(17)18;1-14(2,3)9-4-7-12-11(8-9)15-13(17)16(12)10-5-6-10;1-9(2)16-12-7-6-10(14(3,4)5)8-11(12)15-13(16)17;2*1-13(2,3)9-6-7-10-11(8-9)15(5)12(16)14(10)4;1-12(2,3)8-5-6-10-9(7-8)13-11(15)14(10)4;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9/h6-8,10H,9H2,1-5H3,(H,16,18);4,7-8,10H,5-6H2,1-3H3,(H,15,17);6-9H,1-5H3,(H,15,17);2*6-8H,1-5H3;5-7H,1-4H3,(H,13,15);4-5,7H,6H2,1-3H3,(H,13,14);4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H2,12,13,14);4-6H,1-3H3,(H,12,13)
InChIKeyABKDXECQNZOLSW-UHFFFAOYSA-N
XLogP25.50
TPSA357.87 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds4
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002109.86
LogP ≤ 525.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

4,6-dimethyl-3H-1,3-benzothiazol-2-one;3,6-dimethyl-1,3-benzoxazol-2-one;4,6-dimethyl-3H-1,3-benzoxazol-2-one;5,7-dimethyl-1,3-dihydroindol-2-one;3-ethyl-4,6-dimethyl-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydroinden-2-one;1,3,5-trimethylbenzimidazol-2-one;3,4,6-trimethyl-1,3-benzoxazol-2-one
CID 158223220
4,6-dimethyl-3H-1,3-benzothiazol-2-one;3,6-dimethyl-1,3-benzoxazol-2-one;4,6-dimethyl-3H-1,3-benzoxazol-2-one;5,7-dimethyl-1,3-dihydroindol-2-one;3-ethyl-4,6-dimethyl-1,3-benzoxazol-2-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydroinden-2-one;1,3,5-trimethylbenzimidazol-2-one;3,4,6-trimethyl-1,3-benzoxazol-2-one
CID 159167395
4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione
CID 159789620
1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one
CID 167600021
1-(6-Methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one
CID 167679917

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one (CID 157061711) is 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2C1CC1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)Cn1c(=O)[nH]c2cc(C(C)(C)C)ccc21.CC(C)n1c(=O)[nH]c2cc(C(C)(C)C)ccc21.Cn1c(=O)[nH]c2cc(C(C)(C)C)ccc21.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is ABKDXECQNZOLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C14H18N2O.C14H20N2O.2C13H18N2O.C12H16N2O.2C12H15NO.C11H14N2O.C11H13NO2/c1-10(2)9-17-13-7-6-11(15(3,4)5)8-12(13)16-14(17)18;1-14(2,3)9-4-7-12-11(8-9)15-13(17)16(12)10-5-6-10;1-9(2)16-12-7-6-10(14(3,4)5)8-11(12)15-13(16)17;2*1-13(2,3)9-6-7-10-11(8-9)15(5)12(16)14(10)4;1-12(2,3)8-5-6-10-9(7-8)13-11(15)14(10)4;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9/h6-8,10H,9H2,1-5H3,(H,16,18);4,7-8,10H,5-6H2,1-3H3,(H,15,17);6-9H,1-5H3,(H,15,17);2*6-8H,1-5H3;5-7H,1-4H3,(H,13,15);4-5,7H,6H2,1-3H3,(H,13,14);4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H2,12,13,14);4-6H,1-3H3,(H,12,13).
What are the key properties of 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one?
5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 2109.86 g/mol, XLogP of 25.50, 4 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 157061711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).