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

C12H20N4O — CID 50974228

IUPAC5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)N(Cc1ncc[nH]1)CC1CCC(=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)
InChIKeyVRTGMTZDLVFCBV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds5

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

5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 50974228) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID50974228
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)N(Cc1ncc[nH]1)CC1CCC(=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)
InChIKeyVRTGMTZDLVFCBV-UHFFFAOYSA-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

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Related Compounds

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(2S)-2-amino-3-(1H-imidazol-2-yl)-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide
CID 44330839
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
N-({(2S,4S)-4-fluoro-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]pyrrolidin-2-yl}methyl)-3-methylbutanamide
CID 70755207
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CID 70777182
8-(1H-Imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
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4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
rac-(4R,5S)-4-(aminomethyl)-1-methyl-5-(1-methyl-1H-imidazol-2-yl)pyrrolidin-2-one dihydrochloride
CID 121552999
(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 28961139

Frequently Asked Questions

What is the IUPAC name of 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one (CID 50974228) is 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one is CC(C)N(Cc1ncc[nH]1)CC1CCC(=O)N1.
What is the InChIKey of 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is VRTGMTZDLVFCBV-UHFFFAOYSA-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).
What are the key properties of 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one?
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 5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 50974228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).