3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one

C17H24N4O — CID 124757557

IUPAC3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one
SMILESCN(CCn1cc[nH]c1=O)C[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H24N4O/c1-19(11-12-20-10-8-18-17(20)22)13-15-7-9-21(14-15)16-5-3-2-4-6-16/h2-6,8,10,15H,7,9,11-14H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyWPKNBMYDJWOXJA-HNNXBMFYSA-N
MW300.41 g/mol
LogP1.63
Rot. Bonds6

About 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one

3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one (PubChem CID 124757557) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one
PubChem CID124757557
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one
SMILESCN(CCn1cc[nH]c1=O)C[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H24N4O/c1-19(11-12-20-10-8-18-17(20)22)13-15-7-9-21(14-15)16-5-3-2-4-6-16/h2-6,8,10,15H,7,9,11-14H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyWPKNBMYDJWOXJA-HNNXBMFYSA-N
XLogP1.63
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 134696967
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 131906546
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058
2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
CID 134701940
N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
N-methyl-2-(1-methylimidazol-2-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97131034
N-methyl-2-(1-methylimidazol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70744638
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135114283

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one (CID 124757557) is 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one is CN(CCn1cc[nH]c1=O)C[C@@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one?
The InChIKey is WPKNBMYDJWOXJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-19(11-12-20-10-8-18-17(20)22)13-15-7-9-21(14-15)16-5-3-2-4-6-16/h2-6,8,10,15H,7,9,11-14H2,1H3,(H,18,22)/t15-/m0/s1.
What are the key properties of 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one?
3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one has a molecular weight of 300.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 124757557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).