4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one

C25H31N3O — CID 67754466

IUPAC4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C25H31N3O/c1-4-20-9-11-21(12-10-20)24-19(3)26-25(29)28(24)23-13-15-27(16-14-23)17-22-8-6-5-7-18(22)2/h5-12,23H,4,13-17H2,1-3H3,(H,26,29)
InChIKeyHQTNPVYYHPQSBR-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.86
Rot. Bonds5

About 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one

4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 67754466) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
PubChem CID67754466
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C25H31N3O/c1-4-20-9-11-21(12-10-20)24-19(3)26-25(29)28(24)23-13-15-27(16-14-23)17-22-8-6-5-7-18(22)2/h5-12,23H,4,13-17H2,1-3H3,(H,26,29)
InChIKeyHQTNPVYYHPQSBR-UHFFFAOYSA-N
XLogP4.86
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one with MolForge

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
3-[1-[[4-(5,6-dimethyl-3-phenylpyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
CID 142818925
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
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3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
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1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
ethyl 4-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-1-phenylpyrrolo[1,2-a]quinoxaline-2-carboxylate
CID 127031186
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 883444
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 11743757
4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 58129318
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one (CID 67754466) is 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one is CCc1ccc(-c2c(C)[nH]c(=O)n2C2CCN(Cc3ccccc3C)CC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is HQTNPVYYHPQSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-4-20-9-11-21(12-10-20)24-19(3)26-25(29)28(24)23-13-15-27(16-14-23)17-22-8-6-5-7-18(22)2/h5-12,23H,4,13-17H2,1-3H3,(H,26,29).
What are the key properties of 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 389.54 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 67754466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).