6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one

C17H25N3O — CID 138655315

IUPAC6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2c(N3CCCC3)cc(C(C)(C)C)cc21
InChIInChI=1S/C17H25N3O/c1-17(2,3)12-10-13-15(19(5)16(21)18(13)4)14(11-12)20-8-6-7-9-20/h10-11H,6-9H2,1-5H3
InChIKeyLGOYMZOWLZSSEU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.77
Rot. Bonds1

About 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one

6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one (PubChem CID 138655315) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one.

Molecular Properties

Compound Name6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one
PubChem CID138655315
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2c(N3CCCC3)cc(C(C)(C)C)cc21
InChIInChI=1S/C17H25N3O/c1-17(2,3)12-10-13-15(19(5)16(21)18(13)4)14(11-12)20-8-6-7-9-20/h10-11H,6-9H2,1-5H3
InChIKeyLGOYMZOWLZSSEU-UHFFFAOYSA-N
XLogP2.77
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one?
The IUPAC name of 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one (CID 138655315) is 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one.
What is the SMILES notation for 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one?
The canonical SMILES for 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one is Cn1c(=O)n(C)c2c(N3CCCC3)cc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one?
The InChIKey is LGOYMZOWLZSSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)12-10-13-15(19(5)16(21)18(13)4)14(11-12)20-8-6-7-9-20/h10-11H,6-9H2,1-5H3.
What are the key properties of 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one?
6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-dimethyl-4-pyrrolidin-1-ylbenzimidazol-2-one is sourced from PubChem (CID 138655315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).