N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide

C20H30N4O2 — CID 22433361

IUPACN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)C(C)(C)C)cc21
InChIInChI=1S/C20H30N4O2/c1-6-23-16-12-14(21-18(25)20(3,4)5)15(22-10-8-9-11-22)13-17(16)24(7-2)19(23)26/h12-13H,6-11H2,1-5H3,(H,21,25)
InChIKeyOXMHRYDNDWKDAV-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.43
Rot. Bonds4

About N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide

N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 22433361) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide
PubChem CID22433361
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)C(C)(C)C)cc21
InChIInChI=1S/C20H30N4O2/c1-6-23-16-12-14(21-18(25)20(3,4)5)15(22-10-8-9-11-22)13-17(16)24(7-2)19(23)26/h12-13H,6-11H2,1-5H3,(H,21,25)
InChIKeyOXMHRYDNDWKDAV-UHFFFAOYSA-N
XLogP3.43
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide (CID 22433361) is N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide is CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)C(C)(C)C)cc21.
What is the InChIKey of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is OXMHRYDNDWKDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-6-23-16-12-14(21-18(25)20(3,4)5)15(22-10-8-9-11-22)13-17(16)24(7-2)19(23)26/h12-13H,6-11H2,1-5H3,(H,21,25).
What are the key properties of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide?
N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 358.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 22433361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).