3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide

C69H73ClN12O5 — CID 158784803

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C)c4)c3)N=C2N)CC1.CC(C)CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3ccccn3)c2)N=C1N
InChIInChI=1S/C25H30N4O2.C22H24ClN3O.C22H19N5O2/c1-17-6-4-7-20(14-17)21-8-5-9-22(15-21)25(3)23(31)29(24(26)27-25)16-19-10-12-28(13-11-19)18(2)30;1-14(2)13-26-20(27)22(17-9-10-17,25-21(26)24)18-7-3-5-15(11-18)16-6-4-8-19(23)12-16;1-27-20(29)22(26-21(27)23,15-8-3-2-4-9-15)16-10-7-11-17(14-16)25-19(28)18-12-5-6-13-24-18/h4-9,14-15,19H,10-13,16H2,1-3H3,(H2,26,27);3-8,11-12,14,17H,9-10,13H2,1-2H3,(H2,24,25);2-14H,1H3,(H2,23,26)(H,25,28)
InChIKeyIRNRIRUTMQONLM-UHFFFAOYSA-N
MW1185.87 g/mol
LogP10.08
Rot. Bonds13

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide (PubChem CID 158784803) has the molecular formula C69H73ClN12O5 and a molecular weight of 1185.87 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide
PubChem CID158784803
Molecular FormulaC69H73ClN12O5
Molecular Weight1185.87 g/mol
Exact Mass1184.55
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C)c4)c3)N=C2N)CC1.CC(C)CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3ccccn3)c2)N=C1N
InChIInChI=1S/C25H30N4O2.C22H24ClN3O.C22H19N5O2/c1-17-6-4-7-20(14-17)21-8-5-9-22(15-21)25(3)23(31)29(24(26)27-25)16-19-10-12-28(13-11-19)18(2)30;1-14(2)13-26-20(27)22(17-9-10-17,25-21(26)24)18-7-3-5-15(11-18)16-6-4-8-19(23)12-16;1-27-20(29)22(26-21(27)23,15-8-3-2-4-9-15)16-10-7-11-17(14-16)25-19(28)18-12-5-6-13-24-18/h4-9,14-15,19H,10-13,16H2,1-3H3,(H2,26,27);3-8,11-12,14,17H,9-10,13H2,1-2H3,(H2,24,25);2-14H,1H3,(H2,23,26)(H,25,28)
InChIKeyIRNRIRUTMQONLM-UHFFFAOYSA-N
XLogP10.08
TPSA238.37 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.87
LogP ≤ 510.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 49819085
N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide
CID 71713948
3-[[4,4-bis(4-fluorophenyl)-2-imino-5-oxo-imidazolidin-1-yl]methyl]-N-[(5-chloro-2-pyridyl)methyl]-N-methyl-benzamide
CID 135163395
N-[3-[(4S)-2-amino-1-(cyclopropylmethyl)-4-methyl-6-oxo-5H-pyrimidin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 59570576
N-[3-[2-amino-1-(cyclopropylmethyl)-4-methyl-6-oxo-5H-pyrimidin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 72329083
N-[3-[(4R)-2-amino-1-(cyclopropylmethyl)-4-ethenyl-6-oxo-5H-pyrimidin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 164057627
N-[(4-chlorophenyl)methyl]-2-[(2-imino-5-oxo-4,4-diphenyl-imidazolidin-1-yl)methyl]-N-methyl-pyridine-4-carboxamide
CID 135154307
N-[(5-chloro-2-pyridyl)methyl]-3-[(2-imino-5-oxo-4-phenyl-4-propyl-imidazolidin-1-yl)methyl]-N-methyl-benzamide
CID 142387043
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-chloropyridine-2-carboxamide
CID 45380936
N-[3-[(4S,5R)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 49819622
N-[3-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 49819623
N-[3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]phenyl]-3-(2-chlorophenyl)pyridine-2-carboxamide
CID 49819767

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide (CID 158784803) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide is CC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C)c4)c3)N=C2N)CC1.CC(C)CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3ccccn3)c2)N=C1N.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is IRNRIRUTMQONLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.C22H24ClN3O.C22H19N5O2/c1-17-6-4-7-20(14-17)21-8-5-9-22(15-21)25(3)23(31)29(24(26)27-25)16-19-10-12-28(13-11-19)18(2)30;1-14(2)13-26-20(27)22(17-9-10-17,25-21(26)24)18-7-3-5-15(11-18)16-6-4-8-19(23)12-16;1-27-20(29)22(26-21(27)23,15-8-3-2-4-9-15)16-10-7-11-17(14-16)25-19(28)18-12-5-6-13-24-18/h4-9,14-15,19H,10-13,16H2,1-3H3,(H2,26,27);3-8,11-12,14,17H,9-10,13H2,1-2H3,(H2,24,25);2-14H,1H3,(H2,23,26)(H,25,28).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 1185.87 g/mol, XLogP of 10.08, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 158784803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).