4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one

C22H26N4O2 — CID 166620077

IUPAC4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one
SMILESCCN1CCC[C@H]1Cn1ccnc1-c1ccc(OC)c(-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C22H26N4O2/c1-3-25-11-4-5-18(25)15-26-12-10-24-22(26)17-6-7-20(28-2)19(13-17)16-8-9-23-21(27)14-16/h6-10,12-14,18H,3-5,11,15H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyKIKSBJNAPIREDO-SFHVURJKSA-N
MW378.48 g/mol
LogP3.40
Rot. Bonds6

About 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one

4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one (PubChem CID 166620077) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one
PubChem CID166620077
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one
SMILESCCN1CCC[C@H]1Cn1ccnc1-c1ccc(OC)c(-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C22H26N4O2/c1-3-25-11-4-5-18(25)15-26-12-10-24-22(26)17-6-7-20(28-2)19(13-17)16-8-9-23-21(27)14-16/h6-10,12-14,18H,3-5,11,15H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyKIKSBJNAPIREDO-SFHVURJKSA-N
XLogP3.40
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
3-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;formic acid
CID 154923830
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 165426292
5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652
5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166620278
2-[1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95897586
N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 136512978
4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 131917228
5-amino-2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 43209481
acetic acid;4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 154909912

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one (CID 166620077) is 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one is CCN1CCC[C@H]1Cn1ccnc1-c1ccc(OC)c(-c2cc[nH]c(=O)c2)c1.
What is the InChIKey of 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one?
The InChIKey is KIKSBJNAPIREDO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-25-11-4-5-18(25)15-26-12-10-24-22(26)17-6-7-20(28-2)19(13-17)16-8-9-23-21(27)14-16/h6-10,12-14,18H,3-5,11,15H2,1-2H3,(H,23,27)/t18-/m0/s1.
What are the key properties of 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one?
4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one has a molecular weight of 378.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one is sourced from PubChem (CID 166620077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).