1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one

C23H22ClN3O2 — CID 46213060

IUPAC1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one
SMILESCOc1ccc(Cc2ccc(N3CCN(C)C3=O)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN3O2/c1-26-10-11-27(23(26)28)22-9-7-17(15-25-22)12-16-6-8-21(29-2)20(13-16)18-4-3-5-19(24)14-18/h3-9,13-15H,10-12H2,1-2H3
InChIKeyPAUHLTHUCKVYKZ-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.87
Rot. Bonds5

About 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one

1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one (PubChem CID 46213060) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one
PubChem CID46213060
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one
SMILESCOc1ccc(Cc2ccc(N3CCN(C)C3=O)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN3O2/c1-26-10-11-27(23(26)28)22-9-7-17(15-25-22)12-16-6-8-21(29-2)20(13-16)18-4-3-5-19(24)14-18/h3-9,13-15H,10-12H2,1-2H3
InChIKeyPAUHLTHUCKVYKZ-UHFFFAOYSA-N
XLogP4.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
CID 58020299
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-[(2R)-2-hydroperoxypyrrolidin-1-yl]pyridine
CID 143810453
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
CID 86304433
[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
CID 158204197
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane
CID 159916668
[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one (CID 46213060) is 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one is COc1ccc(Cc2ccc(N3CCN(C)C3=O)nc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one?
The InChIKey is PAUHLTHUCKVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-26-10-11-27(23(26)28)22-9-7-17(15-25-22)12-16-6-8-21(29-2)20(13-16)18-4-3-5-19(24)14-18/h3-9,13-15H,10-12H2,1-2H3.
What are the key properties of 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one?
1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one has a molecular weight of 407.90 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 46213060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).