(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

C21H34N4O — CID 124849465

IUPAC(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(Cc1cncn1C1CCCCC1)C[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H34N4O/c1-23(13-17-11-21(26)24(14-17)18-9-5-6-10-18)15-20-12-22-16-25(20)19-7-3-2-4-8-19/h12,16-19H,2-11,13-15H2,1H3/t17-/m0/s1
InChIKeyORZJRSZAGBSSEI-KRWDZBQOSA-N
MW358.53 g/mol
LogP3.61
Rot. Bonds6

About (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 124849465) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
PubChem CID124849465
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(Cc1cncn1C1CCCCC1)C[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H34N4O/c1-23(13-17-11-21(26)24(14-17)18-9-5-6-10-18)15-20-12-22-16-25(20)19-7-3-2-4-8-19/h12,16-19H,2-11,13-15H2,1H3/t17-/m0/s1
InChIKeyORZJRSZAGBSSEI-KRWDZBQOSA-N
XLogP3.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (CID 124849465) is (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is CN(Cc1cncn1C1CCCCC1)C[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is ORZJRSZAGBSSEI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H34N4O/c1-23(13-17-11-21(26)24(14-17)18-9-5-6-10-18)15-20-12-22-16-25(20)19-7-3-2-4-8-19/h12,16-19H,2-11,13-15H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 358.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 124849465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).