(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one

C14H16N4O — CID 164635792

IUPAC(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
SMILESO=C1C[C@H](NCc2ncc[nH]2)CN1c1ccccc1
InChIInChI=1S/C14H16N4O/c19-14-8-11(17-9-13-15-6-7-16-13)10-18(14)12-4-2-1-3-5-12/h1-7,11,17H,8-10H2,(H,15,16)/t11-/m0/s1
InChIKeyPQVQWNOIFMSNPF-NSHDSACASA-N
MW256.31 g/mol
LogP1.30
Rot. Bonds4

About (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one

(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one (PubChem CID 164635792) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
PubChem CID164635792
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
SMILESO=C1C[C@H](NCc2ncc[nH]2)CN1c1ccccc1
InChIInChI=1S/C14H16N4O/c19-14-8-11(17-9-13-15-6-7-16-13)10-18(14)12-4-2-1-3-5-12/h1-7,11,17H,8-10H2,(H,15,16)/t11-/m0/s1
InChIKeyPQVQWNOIFMSNPF-NSHDSACASA-N
XLogP1.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 119111639
4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one
CID 56882134
(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine
CID 96564403
(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one
CID 94824770
1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
CID 67327221
8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 119128786
(2S,3S)-N-(1H-imidazol-2-ylmethyl)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 128976520
(8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368577
3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine
CID 64545634
2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 70745046
4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 62320916
(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine
CID 96564285

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one (CID 164635792) is (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one is O=C1C[C@H](NCc2ncc[nH]2)CN1c1ccccc1.
What is the InChIKey of (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one?
The InChIKey is PQVQWNOIFMSNPF-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O/c19-14-8-11(17-9-13-15-6-7-16-13)10-18(14)12-4-2-1-3-5-12/h1-7,11,17H,8-10H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one?
(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 164635792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).