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

C23H27N3O2 — CID 10547607

IUPAC3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one
SMILESCOc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1
InChIInChI=1S/C23H27N3O2/c1-17-22(19-8-4-3-5-9-19)24-23(27)26(17)20-11-13-25(14-12-20)16-18-7-6-10-21(15-18)28-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27)
InChIKeySVAAEZGFWVDPDN-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.00
Rot. Bonds5

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

3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one (PubChem CID 10547607) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one
PubChem CID10547607
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one
SMILESCOc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1
InChIInChI=1S/C23H27N3O2/c1-17-22(19-8-4-3-5-9-19)24-23(27)26(17)20-11-13-25(14-12-20)16-18-7-6-10-21(15-18)28-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27)
InChIKeySVAAEZGFWVDPDN-UHFFFAOYSA-N
XLogP4.00
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one (CID 10547607) is 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one is COc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1.
What is the InChIKey of 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one?
The InChIKey is SVAAEZGFWVDPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-22(19-8-4-3-5-9-19)24-23(27)26(17)20-11-13-25(14-12-20)16-18-7-6-10-21(15-18)28-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27).
What are the key properties of 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one?
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 10547607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).