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

C31H35N5O — CID 142818925

IUPAC3-[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
SMILESC/C=C\c1c(C)[nH]c(=O)n1C1CCN(Cc2ccc(-c3nc(C)c(C)nc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C31H35N5O/c1-5-9-28-23(4)34-31(37)36(28)27-16-18-35(19-17-27)20-24-12-14-26(15-13-24)30-29(25-10-7-6-8-11-25)32-21(2)22(3)33-30/h5-15,27H,16-20H2,1-4H3,(H,34,37)/b9-5-
InChIKeyRDYNZKLOPUSDBA-UITAMQMPSA-N
MW493.66 g/mol
LogP6.10
Rot. Bonds6

About 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

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 (PubChem CID 142818925) has the molecular formula C31H35N5O and a molecular weight of 493.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID142818925
Molecular FormulaC31H35N5O
Molecular Weight493.66 g/mol
Exact Mass493.28
IUPAC Name3-[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
SMILESC/C=C\c1c(C)[nH]c(=O)n1C1CCN(Cc2ccc(-c3nc(C)c(C)nc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C31H35N5O/c1-5-9-28-23(4)34-31(37)36(28)27-16-18-35(19-17-27)20-24-12-14-26(15-13-24)30-29(25-10-7-6-8-11-25)32-21(2)22(3)33-30/h5-15,27H,16-20H2,1-4H3,(H,34,37)/b9-5-
InChIKeyRDYNZKLOPUSDBA-UITAMQMPSA-N
XLogP6.10
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.66
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[4-(7-amino-6-hydrazinyl-3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-4,5-dimethyl-1H-imidazol-2-one
CID 142819040
3-[1-[[4-(3-oxo-6-phenyl-2H-1,2,4-triazin-5-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58853495
3-[1-[[4-[6-phenyl-3-(4-phenylphenyl)-1,2,4-triazin-5-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 11273535
6-[4-[[4-(4-methyl-2-oxo-5-pent-4-enyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-2H-1,2,4-triazin-3-one
CID 142961602
3-[1-[[4-[7-(1-methyltetrazol-5-yl)-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21103118
3-[1-[[4-[3-(1-methylpyrazol-4-yl)-6-phenyl-1,2,4-triazin-5-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 11227585
2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene
CID 142961682
3-[1-[[4-(6-oxo-2-phenyl-1H-pyrazin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10152003
3-[1-[[4-[5-(hydroxymethyl)-6-oxo-3-phenyl-1H-pyrazin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10174542
4-(4-ethylphenyl)-5-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
CID 67754466
1-[3-amino-6-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-2-pyridinyl]-3-methylurea
CID 142961669
2-(methylamino)-6-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
CID 11237628

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\c1c(C)[nH]c(=O)n1C1CCN(Cc2ccc(-c3nc(C)c(C)nc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is RDYNZKLOPUSDBA-UITAMQMPSA-N. The full InChI is InChI=1S/C31H35N5O/c1-5-9-28-23(4)34-31(37)36(28)27-16-18-35(19-17-27)20-24-12-14-26(15-13-24)30-29(25-10-7-6-8-11-25)32-21(2)22(3)33-30/h5-15,27H,16-20H2,1-4H3,(H,34,37)/b9-5-.
What are the key properties of 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?
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 has a molecular weight of 493.66 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142818925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).