(4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one

C21H24N4O — CID 42593265

IUPAC(4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one
SMILESCc1ncc(CN[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)n1C
InChIInChI=1S/C21H24N4O/c1-15-22-11-19(24(15)2)12-23-18-10-21(26)25(14-18)13-17-8-5-7-16-6-3-4-9-20(16)17/h3-9,11,18,23H,10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyGECILACKQGQSFB-GOSISDBHSA-N
MW348.45 g/mol
LogP2.77
Rot. Bonds5

About (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one

(4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one (PubChem CID 42593265) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one
PubChem CID42593265
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one
SMILESCc1ncc(CN[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)n1C
InChIInChI=1S/C21H24N4O/c1-15-22-11-19(24(15)2)12-23-18-10-21(26)25(14-18)13-17-8-5-7-16-6-3-4-9-20(16)17/h3-9,11,18,23H,10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyGECILACKQGQSFB-GOSISDBHSA-N
XLogP2.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one (CID 42593265) is (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one is Cc1ncc(CN[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)n1C.
What is the InChIKey of (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is GECILACKQGQSFB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-22-11-19(24(15)2)12-23-18-10-21(26)25(14-18)13-17-8-5-7-16-6-3-4-9-20(16)17/h3-9,11,18,23H,10,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
(4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 348.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 42593265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).