(4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one

C16H23N5O — CID 95524968

IUPAC(4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCc1nc(-c2nccn2C[C@@H]2CC(=O)N(CC)C2)c(C)[nH]1
InChIInChI=1S/C16H23N5O/c1-4-13-18-11(3)15(19-13)16-17-6-7-21(16)10-12-8-14(22)20(5-2)9-12/h6-7,12H,4-5,8-10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyRLZXAACVIOOLOC-GFCCVEGCSA-N
MW301.39 g/mol
LogP2.01
Rot. Bonds5

About (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one

(4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 95524968) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID95524968
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCc1nc(-c2nccn2C[C@@H]2CC(=O)N(CC)C2)c(C)[nH]1
InChIInChI=1S/C16H23N5O/c1-4-13-18-11(3)15(19-13)16-17-6-7-21(16)10-12-8-14(22)20(5-2)9-12/h6-7,12H,4-5,8-10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyRLZXAACVIOOLOC-GFCCVEGCSA-N
XLogP2.01
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one (CID 95524968) is (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one is CCc1nc(-c2nccn2C[C@@H]2CC(=O)N(CC)C2)c(C)[nH]1.
What is the InChIKey of (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is RLZXAACVIOOLOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-13-18-11(3)15(19-13)16-17-6-7-21(16)10-12-8-14(22)20(5-2)9-12/h6-7,12H,4-5,8-10H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
(4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95524968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).