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

C23H27N3O — CID 10546540

IUPAC4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one
SMILESCc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1
InChIInChI=1S/C23H27N3O/c1-17-7-6-8-19(15-17)16-25-13-11-21(12-14-25)26-18(2)22(24-23(26)27)20-9-4-3-5-10-20/h3-10,15,21H,11-14,16H2,1-2H3,(H,24,27)
InChIKeyRUCVLTFMJJZXOA-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.30
Rot. Bonds4

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

4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one (PubChem CID 10546540) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one
PubChem CID10546540
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one
SMILESCc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1
InChIInChI=1S/C23H27N3O/c1-17-7-6-8-19(15-17)16-25-13-11-21(12-14-25)26-18(2)22(24-23(26)27)20-9-4-3-5-10-20/h3-10,15,21H,11-14,16H2,1-2H3,(H,24,27)
InChIKeyRUCVLTFMJJZXOA-UHFFFAOYSA-N
XLogP4.30
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one (CID 10546540) is 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one is Cc1cccc(CN2CCC(n3c(C)c(-c4ccccc4)[nH]c3=O)CC2)c1.
What is the InChIKey of 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one?
The InChIKey is RUCVLTFMJJZXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-7-6-8-19(15-17)16-25-13-11-21(12-14-25)26-18(2)22(24-23(26)27)20-9-4-3-5-10-20/h3-10,15,21H,11-14,16H2,1-2H3,(H,24,27).
What are the key properties of 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one?
4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 10546540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).