(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one

C22H38N4O2 — CID 118720054

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one
SMILESCCCCC(=O)N1CC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22-/m1/s1
InChIKeyMNXDSLVDLSSUGR-XMSQKQJNSA-N
MW390.57 g/mol
LogP3.30
Rot. Bonds8

About (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one (PubChem CID 118720054) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one
PubChem CID118720054
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one
SMILESCCCCC(=O)N1CC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22-/m1/s1
InChIKeyMNXDSLVDLSSUGR-XMSQKQJNSA-N
XLogP3.30
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one (CID 118720054) is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one is CCCCC(=O)N1CC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one?
The InChIKey is MNXDSLVDLSSUGR-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one has a molecular weight of 390.57 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpyrrolidin-3-yl]methyl]imidazol-4-one is sourced from PubChem (CID 118720054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).