(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one

C12H20N4O — CID 95136036

IUPAC(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)N(Cc1ncc[nH]1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H20N4O/c1-9(2)16(8-11-13-5-6-14-11)7-10-3-4-12(17)15-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)(H,15,17)/t10-/m0/s1
InChIKeyVRTGMTZDLVFCBV-JTQLQIEISA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds5

About (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 95136036) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID95136036
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)N(Cc1ncc[nH]1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H20N4O/c1-9(2)16(8-11-13-5-6-14-11)7-10-3-4-12(17)15-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)(H,15,17)/t10-/m0/s1
InChIKeyVRTGMTZDLVFCBV-JTQLQIEISA-N
XLogP0.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
CID 176673035
(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50958027
3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid
CID 107530300
(5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 95201148
5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 56712639
(5R)-5-[[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 94092445
(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 42195697
(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 26411736
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide
CID 124757415
4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 122572625
5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 45187557

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one (CID 95136036) is (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one is CC(C)N(Cc1ncc[nH]1)C[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is VRTGMTZDLVFCBV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16(8-11-13-5-6-14-11)7-10-3-4-12(17)15-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)(H,15,17)/t10-/m0/s1.
What are the key properties of (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95136036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).