5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one

C15H22N4O — CID 28908476

IUPAC5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(N)cc21
InChIInChI=1S/C15H22N4O/c1-3-18-13-9-11(16)12(17-7-5-6-8-17)10-14(13)19(4-2)15(18)20/h9-10H,3-8,16H2,1-2H3
InChIKeyKNUFCOYVMQHHBC-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.03
Rot. Bonds3

About 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one

5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one (PubChem CID 28908476) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one
PubChem CID28908476
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(N)cc21
InChIInChI=1S/C15H22N4O/c1-3-18-13-9-11(16)12(17-7-5-6-8-17)10-14(13)19(4-2)15(18)20/h9-10H,3-8,16H2,1-2H3
InChIKeyKNUFCOYVMQHHBC-UHFFFAOYSA-N
XLogP2.03
TPSA56.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one?
The IUPAC name of 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one (CID 28908476) is 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one?
The canonical SMILES for 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one is CCn1c(=O)n(CC)c2cc(N3CCCC3)c(N)cc21.
What is the InChIKey of 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one?
The InChIKey is KNUFCOYVMQHHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-18-13-9-11(16)12(17-7-5-6-8-17)10-14(13)19(4-2)15(18)20/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one?
5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one has a molecular weight of 274.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one is sourced from PubChem (CID 28908476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).