3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one

C17H21N3O — CID 170129221

IUPAC3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(n2cnc3c(C(C)(C)C)cccc32)C(=O)N1
InChIInChI=1S/C17H21N3O/c1-11-8-9-14(16(21)19-11)20-10-18-15-12(17(2,3)4)6-5-7-13(15)20/h5-7,10,14H,1,8-9H2,2-4H3,(H,19,21)
InChIKeyMGJYNXRPGVYIRJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.30
Rot. Bonds1

About 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one

3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one (PubChem CID 170129221) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one
PubChem CID170129221
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(n2cnc3c(C(C)(C)C)cccc32)C(=O)N1
InChIInChI=1S/C17H21N3O/c1-11-8-9-14(16(21)19-11)20-10-18-15-12(17(2,3)4)6-5-7-13(15)20/h5-7,10,14H,1,8-9H2,2-4H3,(H,19,21)
InChIKeyMGJYNXRPGVYIRJ-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
CID 170129226
3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129239
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417
3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292
3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 176963181
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741
3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one
CID 167296952
3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)-6-methylidenepiperidin-2-one
CID 170129244
4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
CID 165070721
5-tert-butyl-4-chloro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158005992
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
CID 170009468

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one (CID 170129221) is 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one is C=C1CCC(n2cnc3c(C(C)(C)C)cccc32)C(=O)N1.
What is the InChIKey of 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one?
The InChIKey is MGJYNXRPGVYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-8-9-14(16(21)19-11)20-10-18-15-12(17(2,3)4)6-5-7-13(15)20/h5-7,10,14H,1,8-9H2,2-4H3,(H,19,21).
What are the key properties of 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one?
3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one has a molecular weight of 283.38 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170129221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).